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

C19H12ClFN2O3S — CID 146545779

IUPAC3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
SMILESN#Cc1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)ccc2F)c1
InChIInChI=1S/C19H12ClFN2O3S/c20-15-8-12(11-22)9-18(19(15)24)27(25,26)23-17-10-14(6-7-16(17)21)13-4-2-1-3-5-13/h1-10,23-24H
InChIKeyBXDCBKZTQVWUPA-UHFFFAOYSA-N
MW402.83 g/mol
LogP4.52
Rot. Bonds4

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

3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide (PubChem CID 146545779) has the molecular formula C19H12ClFN2O3S and a molecular weight of 402.83 g/mol. Its IUPAC name is 3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
PubChem CID146545779
Molecular FormulaC19H12ClFN2O3S
Molecular Weight402.83 g/mol
Exact Mass402.02
IUPAC Name3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
SMILESN#Cc1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)ccc2F)c1
InChIInChI=1S/C19H12ClFN2O3S/c20-15-8-12(11-22)9-18(19(15)24)27(25,26)23-17-10-14(6-7-16(17)21)13-4-2-1-3-5-13/h1-10,23-24H
InChIKeyBXDCBKZTQVWUPA-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

3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide
CID 146545724
3,5-dichloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545747
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylsulfonylbenzenesulfonamide
CID 146545787
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylbenzenesulfonamide
CID 146545790
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(hydroxymethyl)benzenesulfonamide
CID 146545869
3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545968
3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545977
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(methoxymethyl)benzenesulfonamide
CID 146546015
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-fluoro-2-hydroxybenzenesulfonamide
CID 146546018
3-chloro-5-cyano-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
CID 146545773
5-chloro-N-(2-fluoro-5-phenylphenyl)-2,4-dihydroxybenzenesulfonamide
CID 146545749
3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide
CID 146545814

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The IUPAC name of 3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide (CID 146545779) is 3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide is N#Cc1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)ccc2F)c1.
What is the InChIKey of 3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The InChIKey is BXDCBKZTQVWUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O3S/c20-15-8-12(11-22)9-18(19(15)24)27(25,26)23-17-10-14(6-7-16(17)21)13-4-2-1-3-5-13/h1-10,23-24H.
What are the key properties of 3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
3-chloro-5-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 3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 146545779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).