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

C13H12ClNO4S — CID 78995720

IUPACN-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2O)cc1
InChIInChI=1S/C13H12ClNO4S/c1-19-9-5-7-10(8-6-9)20(17,18)15-12-4-2-3-11(14)13(12)16/h2-8,15-16H,1H3
InChIKeyUGKQIPAASQJFOO-UHFFFAOYSA-N
MW313.76 g/mol
LogP2.86
Rot. Bonds4

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

N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide (PubChem CID 78995720) has the molecular formula C13H12ClNO4S and a molecular weight of 313.76 g/mol. Its IUPAC name is N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
PubChem CID78995720
Molecular FormulaC13H12ClNO4S
Molecular Weight313.76 g/mol
Exact Mass313.02
IUPAC NameN-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2O)cc1
InChIInChI=1S/C13H12ClNO4S/c1-19-9-5-7-10(8-6-9)20(17,18)15-12-4-2-3-11(14)13(12)16/h2-8,15-16H,1H3
InChIKeyUGKQIPAASQJFOO-UHFFFAOYSA-N
XLogP2.86
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide 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

4-chloro-N-(3-chloro-2-hydroxyphenyl)benzenesulfonamide
CID 78995718
N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide
CID 78995732
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 82721249
N-(3-chloro-1H-indol-7-yl)-4-methoxybenzenesulfonamide
CID 10246436
methyl 2-[4-[(2,3-dichlorophenyl)sulfamoyl]phenoxy]acetate
CID 126120452
4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138
N-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 2477654
N-[2-(2-acetylphenyl)phenyl]-4-methoxybenzenesulfonamide
CID 58597404
N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 113047413
N-[5-(4-chlorophenyl)sulfonyl-4-hydroxy-2,3-dimethylphenyl]-4-methoxybenzenesulfonamide
CID 1259998
N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 113456951

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide (CID 78995720) is N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2O)cc1.
What is the InChIKey of N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is UGKQIPAASQJFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4S/c1-19-9-5-7-10(8-6-9)20(17,18)15-12-4-2-3-11(14)13(12)16/h2-8,15-16H,1H3.
What are the key properties of N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide?
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 313.76 g/mol, XLogP of 2.86, 4 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-methoxybenzenesulfonamide is sourced from PubChem (CID 78995720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).