2-chloro-N-(3-cyanophenyl)benzenesulfonamide

C13H9ClN2O2S — CID 7514390

IUPAC2-chloro-N-(3-cyanophenyl)benzenesulfonamide
SMILESN#Cc1cccc(NS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C13H9ClN2O2S/c14-12-6-1-2-7-13(12)19(17,18)16-11-5-3-4-10(8-11)9-15/h1-8,16H
InChIKeyUIWGJGOGPKDJTC-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.01
Rot. Bonds3

About 2-chloro-N-(3-cyanophenyl)benzenesulfonamide

2-chloro-N-(3-cyanophenyl)benzenesulfonamide (PubChem CID 7514390) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is 2-chloro-N-(3-cyanophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyanophenyl)benzenesulfonamide
PubChem CID7514390
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Name2-chloro-N-(3-cyanophenyl)benzenesulfonamide
SMILESN#Cc1cccc(NS(=O)(=O)c2ccccc2Cl)c1
InChIInChI=1S/C13H9ClN2O2S/c14-12-6-1-2-7-13(12)19(17,18)16-11-5-3-4-10(8-11)9-15/h1-8,16H
InChIKeyUIWGJGOGPKDJTC-UHFFFAOYSA-N
XLogP3.01
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyanophenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-cyanophenyl)benzenesulfonamide (CID 7514390) is 2-chloro-N-(3-cyanophenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-cyanophenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-cyanophenyl)benzenesulfonamide is N#Cc1cccc(NS(=O)(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-(3-cyanophenyl)benzenesulfonamide?
The InChIKey is UIWGJGOGPKDJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c14-12-6-1-2-7-13(12)19(17,18)16-11-5-3-4-10(8-11)9-15/h1-8,16H.
What are the key properties of 2-chloro-N-(3-cyanophenyl)benzenesulfonamide?
2-chloro-N-(3-cyanophenyl)benzenesulfonamide has a molecular weight of 292.75 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyanophenyl)benzenesulfonamide is sourced from PubChem (CID 7514390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).