N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide

C13H8ClFN2O2S — CID 26969917

IUPACN-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C13H8ClFN2O2S/c14-11-7-10(15)5-6-12(11)17-20(18,19)13-4-2-1-3-9(13)8-16/h1-7,17H
InChIKeyGQPPCVAPXZPZEQ-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.15
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide

N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide (PubChem CID 26969917) has the molecular formula C13H8ClFN2O2S and a molecular weight of 310.74 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide
PubChem CID26969917
Molecular FormulaC13H8ClFN2O2S
Molecular Weight310.74 g/mol
Exact Mass310.00
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C13H8ClFN2O2S/c14-11-7-10(15)5-6-12(11)17-20(18,19)13-4-2-1-3-9(13)8-16/h1-7,17H
InChIKeyGQPPCVAPXZPZEQ-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

N-(2-amino-4-fluorophenyl)-2-cyanobenzenesulfonamide
CID 28522075
2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide
CID 115972540
N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 82015576
N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63235952
2-cyano-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 2579215
N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
CID 103791874
N-(2-cyano-4-fluorophenyl)-2,3-difluorobenzenesulfonamide
CID 75499452
2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide
CID 107806945
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
2-cyano-N-(2-phenoxyphenyl)benzenesulfonamide
CID 26980043
N-(2-chloro-4-fluorophenyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 17405978
3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82682816

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide (CID 26969917) is N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide is N#Cc1ccccc1S(=O)(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide?
The InChIKey is GQPPCVAPXZPZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O2S/c14-11-7-10(15)5-6-12(11)17-20(18,19)13-4-2-1-3-9(13)8-16/h1-7,17H.
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide?
N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide 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 N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide is sourced from PubChem (CID 26969917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).