5-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide

C19H12ClFN2O3S — CID 146545879

IUPAC5-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
SMILESN#Cc1cc(Cl)cc(S(=O)(=O)Nc2cc(-c3ccccc3)ccc2F)c1O
InChIInChI=1S/C19H12ClFN2O3S/c20-15-8-14(11-22)19(24)18(10-15)27(25,26)23-17-9-13(6-7-16(17)21)12-4-2-1-3-5-12/h1-10,23-24H
InChIKeyPILBOWDLOURBOF-UHFFFAOYSA-N
MW402.83 g/mol
LogP4.52
Rot. Bonds4

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

5-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide (PubChem CID 146545879) has the molecular formula C19H12ClFN2O3S and a molecular weight of 402.83 g/mol. Its IUPAC name is 5-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
PubChem CID146545879
Molecular FormulaC19H12ClFN2O3S
Molecular Weight402.83 g/mol
Exact Mass402.02
IUPAC Name5-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
SMILESN#Cc1cc(Cl)cc(S(=O)(=O)Nc2cc(-c3ccccc3)ccc2F)c1O
InChIInChI=1S/C19H12ClFN2O3S/c20-15-8-14(11-22)19(24)18(10-15)27(25,26)23-17-9-13(6-7-16(17)21)12-4-2-1-3-5-12/h1-10,23-24H
InChIKeyPILBOWDLOURBOF-UHFFFAOYSA-N
XLogP4.52
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.83
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide
CID 146600936
3,5-dichloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545747
[2,4-dichloro-6-[(2-fluoro-5-phenylphenyl)sulfamoyl]phenyl] propanoate
CID 146545966
N-(5-chloro-2-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 81241185
2-[2,4-dichloro-6-[(2-fluoro-5-phenylphenyl)sulfamoyl]phenoxy]acetamide
CID 146545931
3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide
CID 146545964
3-chloro-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid
CID 146545712
5-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 110759379
N-(5-chloro-2-hydroxy-3-methylphenyl)-2-cyanobenzenesulfonamide
CID 115663122
2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid
CID 146545806
5-bromo-N-(2-fluoro-4-phenylphenyl)-2-hydroxy-3-nitrobenzenesulfonamide
CID 146545716
3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 146545871

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The IUPAC name of 5-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide (CID 146545879) is 5-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for 5-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide is N#Cc1cc(Cl)cc(S(=O)(=O)Nc2cc(-c3ccccc3)ccc2F)c1O.
What is the InChIKey of 5-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The InChIKey is PILBOWDLOURBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O3S/c20-15-8-14(11-22)19(24)18(10-15)27(25,26)23-17-9-13(6-7-16(17)21)12-4-2-1-3-5-12/h1-10,23-24H.
What are the key properties of 5-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
5-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide has a molecular weight of 402.83 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 146545879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).