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CID 33781860

PubChem CID
33781860
Structure
CID 33781860_small.png
Molecular Formula
Status
Non-live
Molecular Weight
309.8 g/mol
Dates
  • Create:
    2009-05-29

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 33781860.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(3-chlorophenyl)-2,4,5-trimethylbenzenesulfonamide

2.1.2 InChI

InChI=1S/C15H16ClNO2S/c1-10-7-12(3)15(8-11(10)2)20(18,19)17-14-6-4-5-13(16)9-14/h4-9,17H,1-3H3

2.1.3 InChIKey

ZYHCTMSBHMSALA-UHFFFAOYSA-N

2.1.4 SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)NC2=CC(=CC=C2)Cl)C

2.2 Molecular Formula

C15H16ClNO2S

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
309.8 g/mol
Property Name
XLogP3-AA
Property Value
4.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
309.0590276 g/mol
Property Name
Monoisotopic Mass
Property Value
309.0590276 g/mol
Property Name
Topological Polar Surface Area
Property Value
54.6 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
420
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS