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N,N-diethyl-3-(hydrazinecarbonyl)benzene-1-sulfonamide

PubChem CID
690602
Structure
N,N-diethyl-3-(hydrazinecarbonyl)benzene-1-sulfonamide_small.png
N,N-diethyl-3-(hydrazinecarbonyl)benzene-1-sulfonamide_3D_Structure.png
Molecular Formula
Synonyms
  • 96134-80-4
  • N,N-diethyl-3-(hydrazinecarbonyl)benzene-1-sulfonamide
  • N,N-diethyl-3-(hydrazinecarbonyl)benzenesulfonamide
  • n,n-diethyl-3-hydrazinocarbonyl-benzenesulfonamide
  • TimTec1_000839
Molecular Weight
271.34 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
  • Create:
    2005-07-07
  • Modify:
    2025-01-18

1 Structures

1.1 2D Structure

Chemical Structure Depiction
N,N-diethyl-3-(hydrazinecarbonyl)benzene-1-sulfonamide.png

1.2 3D Conformer

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N,N-diethyl-3-(hydrazinecarbonyl)benzenesulfonamide
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)

2.1.2 InChI

InChI=1S/C11H17N3O3S/c1-3-14(4-2)18(16,17)10-7-5-6-9(8-10)11(15)13-12/h5-8H,3-4,12H2,1-2H3,(H,13,15)
Computed by InChI 1.07.0 (PubChem release 2024.11.20)

2.1.3 InChIKey

JVJRCNQOLBMRQX-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)

2.1.4 SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NN
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)

2.2 Molecular Formula

C11H17N3O3S
Computed by PubChem 2.2 (PubChem release 2024.11.20)

2.3 Other Identifiers

2.3.1 CAS

2.3.2 DSSTox Substance ID

2.3.3 Wikidata

2.4 Synonyms

2.4.1 Depositor-Supplied Synonyms

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
271.34 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
0.3
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
271.09906259 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
271.09906259 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
101 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
18
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
373
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)

5 Chemical Vendors

6 Literature

6.1 Consolidated References

6.2 Thieme References

6.3 Chemical Co-Occurrences in Literature

7 Patents

7.1 Depositor-Supplied Patent Identifiers

7.2 WIPO PATENTSCOPE

8 Biological Test Results

8.1 BioAssay Results

9 Information Sources

  1. CAS Common Chemistry
    LICENSE
    The data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.
    https://creativecommons.org/licenses/by-nc/4.0/
    Benzoic acid, 3-[(diethylamino)sulfonyl]-, hydrazide
    https://commonchemistry.cas.org/detail?cas_rn=96134-80-4
  2. EPA DSSTox
    N,N-Diethyl-3-(hydrazinecarbonyl)benzene-1-sulfonamide
    https://comptox.epa.gov/dashboard/DTXSID30351092
  3. Thieme Chemistry
    LICENSE
    The Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.
    https://creativecommons.org/licenses/by-nc-nd/4.0/
  4. Wikidata
    N,N-Diethyl-3-(hydrazinecarbonyl)benzene-1-sulfonamide
    https://www.wikidata.org/wiki/Q82127222
  5. PubChem
  6. PATENTSCOPE (WIPO)
CONTENTS