4-chloro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide

C13H12ClNO4S — CID 114764808

IUPAC4-chloro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(O)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO4S/c1-19-12-4-2-3-11(16)13(12)15-20(17,18)10-7-5-9(14)6-8-10/h2-8,15-16H,1H3
InChIKeyJEUKAGDHEQIJFM-UHFFFAOYSA-N
MW313.76 g/mol
LogP2.86
Rot. Bonds4

About 4-chloro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide

4-chloro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide (PubChem CID 114764808) has the molecular formula C13H12ClNO4S and a molecular weight of 313.76 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide
PubChem CID114764808
Molecular FormulaC13H12ClNO4S
Molecular Weight313.76 g/mol
Exact Mass313.02
IUPAC Name4-chloro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(O)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO4S/c1-19-12-4-2-3-11(16)13(12)15-20(17,18)10-7-5-9(14)6-8-10/h2-8,15-16H,1H3
InChIKeyJEUKAGDHEQIJFM-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'}

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Related Compounds

4-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 54909900
N-(2-hydroxy-6-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 114764727
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide
CID 114764783
2-[[4-[4-[(2-carboxy-6-methoxyphenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-3-methoxybenzoic acid
CID 11250505
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
1-cyano-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide
CID 114764782
4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide
CID 114764817
4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 18083064
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide (CID 114764808) is 4-chloro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide is COc1cccc(O)c1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide?
The InChIKey is JEUKAGDHEQIJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4S/c1-19-12-4-2-3-11(16)13(12)15-20(17,18)10-7-5-9(14)6-8-10/h2-8,15-16H,1H3.
What are the key properties of 4-chloro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide?
4-chloro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide 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 4-chloro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 114764808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).