4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide

C19H12ClFN2O2S — CID 146600936

IUPAC4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2cc(-c3ccccc3)ccc2F)ccc1Cl
InChIInChI=1S/C19H12ClFN2O2S/c20-17-8-7-16(10-15(17)12-22)26(24,25)23-19-11-14(6-9-18(19)21)13-4-2-1-3-5-13/h1-11,23H
InChIKeyOQGJTKBFPUXSSZ-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.82
Rot. Bonds4

About 4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide

4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide (PubChem CID 146600936) has the molecular formula C19H12ClFN2O2S and a molecular weight of 386.84 g/mol. Its IUPAC name is 4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide
PubChem CID146600936
Molecular FormulaC19H12ClFN2O2S
Molecular Weight386.84 g/mol
Exact Mass386.03
IUPAC Name4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2cc(-c3ccccc3)ccc2F)ccc1Cl
InChIInChI=1S/C19H12ClFN2O2S/c20-17-8-7-16(10-15(17)12-22)26(24,25)23-19-11-14(6-9-18(19)21)13-4-2-1-3-5-13/h1-11,23H
InChIKeyOQGJTKBFPUXSSZ-UHFFFAOYSA-N
XLogP4.82
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545879
3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide
CID 115588628
3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
CID 47309192
N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63235952
3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 63235815
3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82682816
N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63236123
N-[4-(4-chlorophenyl)-2-cyanophenyl]-4-methylbenzenesulfonamide
CID 169373249
2-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]benzonitrile
CID 158172879
3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide
CID 63235820
2-chloro-5-[(2-cyanophenyl)sulfamoyl]benzoic acid
CID 110757054
3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide
CID 47309083

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide (CID 146600936) is 4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2cc(-c3ccccc3)ccc2F)ccc1Cl.
What is the InChIKey of 4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide?
The InChIKey is OQGJTKBFPUXSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O2S/c20-17-8-7-16(10-15(17)12-22)26(24,25)23-19-11-14(6-9-18(19)21)13-4-2-1-3-5-13/h1-11,23H.
What are the key properties of 4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide?
4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide has a molecular weight of 386.84 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 146600936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).