2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid

C11H11N3O5S — CID 62375790

IUPAC2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid
SMILESCn1cnc(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)c1
InChIInChI=1S/C11H11N3O5S/c1-14-5-10(12-6-14)20(18,19)13-7-2-3-8(11(16)17)9(15)4-7/h2-6,13,15H,1H3,(H,16,17)
InChIKeyDBHOLZMWFJJDLT-UHFFFAOYSA-N
MW297.29 g/mol
LogP0.62
Rot. Bonds4

About 2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid

2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid (PubChem CID 62375790) has the molecular formula C11H11N3O5S and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid
PubChem CID62375790
Molecular FormulaC11H11N3O5S
Molecular Weight297.29 g/mol
Exact Mass297.04
IUPAC Name2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid
SMILESCn1cnc(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)c1
InChIInChI=1S/C11H11N3O5S/c1-14-5-10(12-6-14)20(18,19)13-7-2-3-8(11(16)17)9(15)4-7/h2-6,13,15H,1H3,(H,16,17)
InChIKeyDBHOLZMWFJJDLT-UHFFFAOYSA-N
XLogP0.62
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-hydroxy-4-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 64794060
3,5-dimethyl-2-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid
CID 62780873
2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654101
1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide
CID 46897915
N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 46897919
N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide
CID 55068329
N-(4-bromo-2-hydroxyphenyl)-1-methylimidazole-4-sulfonamide
CID 71927149
N-(2-hydroxy-5-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 55068186
N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide
CID 103775515
N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 114296733
6-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 55249907
N-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 62373465

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid (CID 62375790) is 2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid is Cn1cnc(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)c1.
What is the InChIKey of 2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid?
The InChIKey is DBHOLZMWFJJDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5S/c1-14-5-10(12-6-14)20(18,19)13-7-2-3-8(11(16)17)9(15)4-7/h2-6,13,15H,1H3,(H,16,17).
What are the key properties of 2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid?
2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid has a molecular weight of 297.29 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 62375790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).