An official website of the United States government

CID 35767223

PubChem CID
35767223
Structure
CID 35767223_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 35767223.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

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

2.1.3 InChIKey

HVYDTMDFGGFJOM-UHFFFAOYSA-N

2.1.4 SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=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
Property Name
Hydrogen Bond Donor Count
Property Value
0
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
45.8 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