N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide

C13H9ClN2O3S — CID 78995732

IUPACN-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2O)cc1
InChIInChI=1S/C13H9ClN2O3S/c14-11-2-1-3-12(13(11)17)16-20(18,19)10-6-4-9(8-15)5-7-10/h1-7,16-17H
InChIKeyYDHMBSJMLJZOEJ-UHFFFAOYSA-N
MW308.75 g/mol
LogP2.72
Rot. Bonds3

About N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide

N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide (PubChem CID 78995732) has the molecular formula C13H9ClN2O3S and a molecular weight of 308.75 g/mol. Its IUPAC name is N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide
PubChem CID78995732
Molecular FormulaC13H9ClN2O3S
Molecular Weight308.75 g/mol
Exact Mass308.00
IUPAC NameN-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2O)cc1
InChIInChI=1S/C13H9ClN2O3S/c14-11-2-1-3-12(13(11)17)16-20(18,19)10-6-4-9(8-15)5-7-10/h1-7,16-17H
InChIKeyYDHMBSJMLJZOEJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(3-chloro-2-hydroxyphenyl)benzenesulfonamide
CID 78995718
4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 60640379
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 26979603
N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide
CID 66254566
N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 114051867
N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide
CID 107809240
1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2,3-dichlorophenyl)urea
CID 10367029
4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79043385
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2814037
N-[4-[(3-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide
CID 3681373

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide?
The IUPAC name of N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide (CID 78995732) is N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide?
The canonical SMILES for N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2O)cc1.
What is the InChIKey of N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide?
The InChIKey is YDHMBSJMLJZOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3S/c14-11-2-1-3-12(13(11)17)16-20(18,19)10-6-4-9(8-15)5-7-10/h1-7,16-17H.
What are the key properties of N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide?
N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide 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-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 78995732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).