4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid

C15H15NO7S — CID 7720378

IUPAC4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)O)cc2O)c1
InChIInChI=1S/C15H15NO7S/c1-22-10-4-6-13(23-2)14(8-10)24(20,21)16-11-5-3-9(15(18)19)7-12(11)17/h3-8,16-17H,1-2H3,(H,18,19)
InChIKeyILSGOPAMUMZZGS-UHFFFAOYSA-N
MW353.35 g/mol
LogP1.91
Rot. Bonds6

About 4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid

4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid (PubChem CID 7720378) has the molecular formula C15H15NO7S and a molecular weight of 353.35 g/mol. Its IUPAC name is 4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid
PubChem CID7720378
Molecular FormulaC15H15NO7S
Molecular Weight353.35 g/mol
Exact Mass353.06
IUPAC Name4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)O)cc2O)c1
InChIInChI=1S/C15H15NO7S/c1-22-10-4-6-13(23-2)14(8-10)24(20,21)16-11-5-3-9(15(18)19)7-12(11)17/h3-8,16-17H,1-2H3,(H,18,19)
InChIKeyILSGOPAMUMZZGS-UHFFFAOYSA-N
XLogP1.91
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
3-[(2,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoic acid
CID 45330107
3-[(3-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxybenzoic acid
CID 56798967
3-[(5-carboxy-2-methoxyphenyl)sulfonylamino]-4-phenoxybenzoic acid
CID 56507584
N-(5-acetyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 110424896
3-[(2,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 7516507
4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid
CID 4005118
N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 110604225
5-chloro-2-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
CID 47077078
N-(4-bromo-2-chlorophenyl)-2,5-dimethoxybenzenesulfonamide
CID 7938341
N-(2-aminophenyl)-2,5-dimethoxybenzenesulfonamide
CID 43605524
3-hydroxy-4-methoxybenzoic acid
CID 12575

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid?
The IUPAC name of 4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid (CID 7720378) is 4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid.
What is the SMILES notation for 4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid?
The canonical SMILES for 4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)O)cc2O)c1.
What is the InChIKey of 4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid?
The InChIKey is ILSGOPAMUMZZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO7S/c1-22-10-4-6-13(23-2)14(8-10)24(20,21)16-11-5-3-9(15(18)19)7-12(11)17/h3-8,16-17H,1-2H3,(H,18,19).
What are the key properties of 4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid?
4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid has a molecular weight of 353.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid is sourced from PubChem (CID 7720378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).