N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide

C13H7ClF2N2O2S — CID 103791874

IUPACN-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c(Cl)c1
InChIInChI=1S/C13H7ClF2N2O2S/c14-10-5-8(7-17)1-3-12(10)18-21(19,20)13-4-2-9(15)6-11(13)16/h1-6,18H
InChIKeySCPWPTXHFBEQRK-UHFFFAOYSA-N
MW328.73 g/mol
LogP3.29
Rot. Bonds3

About N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide

N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide (PubChem CID 103791874) has the molecular formula C13H7ClF2N2O2S and a molecular weight of 328.73 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
PubChem CID103791874
Molecular FormulaC13H7ClF2N2O2S
Molecular Weight328.73 g/mol
Exact Mass327.99
IUPAC NameN-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c(Cl)c1
InChIInChI=1S/C13H7ClF2N2O2S/c14-10-5-8(7-17)1-3-12(10)18-21(19,20)13-4-2-9(15)6-11(13)16/h1-6,18H
InChIKeySCPWPTXHFBEQRK-UHFFFAOYSA-N
XLogP3.29
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.73
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide
CID 70140206
2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide
CID 107806945
5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide
CID 107806943
2-chloro-4-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 103988599
2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide
CID 107526668
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959
N-(2-chloro-4-fluorophenyl)-2-cyanobenzenesulfonamide
CID 26969917
2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 104694683
N-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide
CID 107807709
5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 103791841

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide (CID 103791874) is N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide is N#Cc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is SCPWPTXHFBEQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2O2S/c14-10-5-8(7-17)1-3-12(10)18-21(19,20)13-4-2-9(15)6-11(13)16/h1-6,18H.
What are the key properties of N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide?
N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 328.73 g/mol, XLogP of 3.29, 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-cyanophenyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 103791874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).