3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide

C13H7ClF2N2O2S — CID 115588628

IUPAC3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1Cl
InChIInChI=1S/C13H7ClF2N2O2S/c14-11-6-10(3-1-8(11)7-17)21(19,20)18-13-5-9(15)2-4-12(13)16/h1-6,18H
InChIKeyIHLQQAFQEDTRKI-UHFFFAOYSA-N
MW328.73 g/mol
LogP3.29
Rot. Bonds3

About 3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide

3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide (PubChem CID 115588628) has the molecular formula C13H7ClF2N2O2S and a molecular weight of 328.73 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide
PubChem CID115588628
Molecular FormulaC13H7ClF2N2O2S
Molecular Weight328.73 g/mol
Exact Mass327.99
IUPAC Name3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1Cl
InChIInChI=1S/C13H7ClF2N2O2S/c14-11-6-10(3-1-8(11)7-17)21(19,20)18-13-5-9(15)2-4-12(13)16/h1-6,18H
InChIKeyIHLQQAFQEDTRKI-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

3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
CID 47309192
N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63235952
3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82682816
N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide
CID 115701867
3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide
CID 47309083
4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide
CID 146600936
3-chloro-4-cyano-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide
CID 52886287
3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 63235815
N-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 63257691
3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide
CID 115588624
3-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 8500608
3-chloro-N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 103745721

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide (CID 115588628) is 3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1Cl.
What is the InChIKey of 3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide?
The InChIKey is IHLQQAFQEDTRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2O2S/c14-11-6-10(3-1-8(11)7-17)21(19,20)18-13-5-9(15)2-4-12(13)16/h1-6,18H.
What are the key properties of 3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide?
3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide 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 3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 115588628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).