N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide

C13H9ClN2O3S — CID 107809240

IUPACN-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cccc(O)c2)c(Cl)c1
InChIInChI=1S/C13H9ClN2O3S/c14-12-6-9(8-15)4-5-13(12)16-20(18,19)11-3-1-2-10(17)7-11/h1-7,16-17H
InChIKeyVRANJINKRLCZPR-UHFFFAOYSA-N
MW308.75 g/mol
LogP2.72
Rot. Bonds3

About N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide

N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide (PubChem CID 107809240) has the molecular formula C13H9ClN2O3S and a molecular weight of 308.75 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide
PubChem CID107809240
Molecular FormulaC13H9ClN2O3S
Molecular Weight308.75 g/mol
Exact Mass308.00
IUPAC NameN-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cccc(O)c2)c(Cl)c1
InChIInChI=1S/C13H9ClN2O3S/c14-12-6-9(8-15)4-5-13(12)16-20(18,19)11-3-1-2-10(17)7-11/h1-7,16-17H
InChIKeyVRANJINKRLCZPR-UHFFFAOYSA-N
XLogP2.72
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 64786986
N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 103791853
N-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 107697986
4-amino-N-(2-chloro-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107806926
N-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 64787368
2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide
CID 107810158
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 82722836
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
N-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107810157
N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide
CID 78995732
N-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide
CID 107791874
3-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806930

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide (CID 107809240) is N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide is N#Cc1ccc(NS(=O)(=O)c2cccc(O)c2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide?
The InChIKey is VRANJINKRLCZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3S/c14-12-6-9(8-15)4-5-13(12)16-20(18,19)11-3-1-2-10(17)7-11/h1-7,16-17H.
What are the key properties of N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide?
N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide has a molecular weight of 308.75 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide is sourced from PubChem (CID 107809240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).