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N-(3-chlorophenyl)-4-[(ethylsulfonyl)amino]benzamide

PubChem CID
2993611
Structure
N-(3-chlorophenyl)-4-[(ethylsulfonyl)amino]benzamide_small.png
N-(3-chlorophenyl)-4-[(ethylsulfonyl)amino]benzamide_3D_Structure.png
Molecular Formula
Synonyms
  • STK239946
  • AKOS000389865
  • N-(3-chlorophenyl)-4-[(ethylsulfonyl)amino]benzamide
Molecular Weight
338.8 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
  • Create:
    2005-07-29
  • Modify:
    2024-12-14

1 Structures

1.1 2D Structure

Chemical Structure Depiction
N-(3-chlorophenyl)-4-[(ethylsulfonyl)amino]benzamide.png

1.2 3D Conformer

2 Biologic Description

SVG Image
SVG Image
IUPAC Condensed
EtSO2-4Abz-NHPh(3-Cl)
Sequence
X

3 Names and Identifiers

3.1 Computed Descriptors

3.1.1 IUPAC Name

N-(3-chlorophenyl)-4-(ethylsulfonylamino)benzamide
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)

3.1.2 InChI

InChI=1S/C15H15ClN2O3S/c1-2-22(20,21)18-13-8-6-11(7-9-13)15(19)17-14-5-3-4-12(16)10-14/h3-10,18H,2H2,1H3,(H,17,19)
Computed by InChI 1.07.0 (PubChem release 2024.11.20)

3.1.3 InChIKey

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

3.1.4 SMILES

CCS(=O)(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)Cl
Computed by OEChem 2.3.0 (PubChem release 2024.11.20)

3.2 Molecular Formula

C15H15ClN2O3S
Computed by PubChem 2.2 (PubChem release 2024.11.20)

3.3 Synonyms

3.3.1 Depositor-Supplied Synonyms

4 Chemical and Physical Properties

4.1 Computed Properties

Property Name
Molecular Weight
Property Value
338.8 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
2.7
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
4
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
338.0491912 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
338.0491912 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
83.7Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
22
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
470
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 2021.10.14)

6 Chemical Vendors

7 Information Sources

CONTENTS