2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide

C13H8ClFN2O2S — CID 47154362

IUPAC2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide
SMILESN#Cc1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C13H8ClFN2O2S/c14-12-7-10(15)4-5-13(12)20(18,19)17-11-3-1-2-9(6-11)8-16/h1-7,17H
InChIKeyDASVCKAIOIMGOM-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.15
Rot. Bonds3

About 2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide

2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide (PubChem CID 47154362) has the molecular formula C13H8ClFN2O2S and a molecular weight of 310.74 g/mol. Its IUPAC name is 2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide
PubChem CID47154362
Molecular FormulaC13H8ClFN2O2S
Molecular Weight310.74 g/mol
Exact Mass310.00
IUPAC Name2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide
SMILESN#Cc1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C13H8ClFN2O2S/c14-12-7-10(15)4-5-13(12)20(18,19)17-11-3-1-2-9(6-11)8-16/h1-7,17H
InChIKeyDASVCKAIOIMGOM-UHFFFAOYSA-N
XLogP3.15
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-(3-cyanophenyl)benzenesulfonamide
CID 26979574
N-[4-(3-cyanoanilino)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 112989997
4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide
CID 116527479
2-chloro-5-cyano-N-(3-ethynylphenyl)benzenesulfonamide
CID 80696556
N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide
CID 3712473
2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 103988599
2-chloro-4-cyano-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 103988464
N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
CID 103791874
N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide
CID 112989988
N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide
CID 2098329
3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide
CID 134040441
2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide
CID 107526668

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide (CID 47154362) is 2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide is N#Cc1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)c1.
What is the InChIKey of 2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide?
The InChIKey is DASVCKAIOIMGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O2S/c14-12-7-10(15)4-5-13(12)20(18,19)17-11-3-1-2-9(6-11)8-16/h1-7,17H.
What are the key properties of 2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide?
2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide has a molecular weight of 310.74 g/mol, XLogP of 3.15, 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)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 47154362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).