3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide

C13H8Cl2N2O2S — CID 47309083

IUPAC3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1Cl
InChIInChI=1S/C13H8Cl2N2O2S/c14-11-3-1-2-4-13(11)17-20(18,19)10-6-5-9(8-16)12(15)7-10/h1-7,17H
InChIKeyGUHLRSDQPKVNQB-UHFFFAOYSA-N
MW327.19 g/mol
LogP3.67
Rot. Bonds3

About 3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide

3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide (PubChem CID 47309083) has the molecular formula C13H8Cl2N2O2S and a molecular weight of 327.19 g/mol. Its IUPAC name is 3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide
PubChem CID47309083
Molecular FormulaC13H8Cl2N2O2S
Molecular Weight327.19 g/mol
Exact Mass325.97
IUPAC Name3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1Cl
InChIInChI=1S/C13H8Cl2N2O2S/c14-11-3-1-2-4-13(11)17-20(18,19)10-6-5-9(8-16)12(15)7-10/h1-7,17H
InChIKeyGUHLRSDQPKVNQB-UHFFFAOYSA-N
XLogP3.67
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
CID 47309192
3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide
CID 115588624
3-chloro-N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 103745721
3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide
CID 115687718
3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide
CID 115588628
N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide
CID 115701867
2-[(3-chloro-4-cyanophenyl)sulfonylamino]-N-cyclopropylbenzamide
CID 87026587
3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 115588612
3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide
CID 112684851
3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106061900
2-chloro-5-[(2-cyanophenyl)sulfamoyl]benzoic acid
CID 110757054
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide (CID 47309083) is 3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1Cl.
What is the InChIKey of 3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide?
The InChIKey is GUHLRSDQPKVNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2S/c14-11-3-1-2-4-13(11)17-20(18,19)10-6-5-9(8-16)12(15)7-10/h1-7,17H.
What are the key properties of 3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide?
3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide has a molecular weight of 327.19 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 47309083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).