5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide

C13H12ClNO4S — CID 4664874

IUPAC5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1O
InChIInChI=1S/C13H12ClNO4S/c1-19-12-7-6-9(14)8-13(12)20(17,18)15-10-4-2-3-5-11(10)16/h2-8,15-16H,1H3
InChIKeyYYFAQJWBRTVJDD-UHFFFAOYSA-N
MW313.76 g/mol
LogP2.86
Rot. Bonds4

About 5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide

5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide (PubChem CID 4664874) has the molecular formula C13H12ClNO4S and a molecular weight of 313.76 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
PubChem CID4664874
Molecular FormulaC13H12ClNO4S
Molecular Weight313.76 g/mol
Exact Mass313.02
IUPAC Name5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1O
InChIInChI=1S/C13H12ClNO4S/c1-19-12-7-6-9(14)8-13(12)20(17,18)15-10-4-2-3-5-11(10)16/h2-8,15-16H,1H3
InChIKeyYYFAQJWBRTVJDD-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

5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 155555207
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 100715266
5-chloro-N-(2,4-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 39845488
5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide
CID 76506690
2-chloro-N-(5-chloro-2-methoxyphenyl)benzenesulfonamide
CID 4816687
CID 70601990
CID 70601990
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
N-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide
CID 172538343
5-chloro-N-(4-hydroxy-2-nitrophenyl)-2-methoxybenzenesulfonamide
CID 15983058
N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 2696930

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide (CID 4664874) is 5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1O.
What is the InChIKey of 5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is YYFAQJWBRTVJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4S/c1-19-12-7-6-9(14)8-13(12)20(17,18)15-10-4-2-3-5-11(10)16/h2-8,15-16H,1H3.
What are the key properties of 5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide?
5-chloro-N-(2-hydroxyphenyl)-2-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 5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 4664874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).