5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid

C11H11N3O5S — CID 63565237

IUPAC5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2ncc[nH]2)cc1C(=O)O
InChIInChI=1S/C11H11N3O5S/c1-19-9-3-2-7(6-8(9)10(15)16)20(17,18)14-11-12-4-5-13-11/h2-6H,1H3,(H,15,16)(H2,12,13,14)
InChIKeyNSYPFVGPKWOBLB-UHFFFAOYSA-N
MW297.29 g/mol
LogP0.92
Rot. Bonds5

About 5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid

5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid (PubChem CID 63565237) has the molecular formula C11H11N3O5S and a molecular weight of 297.29 g/mol. Its IUPAC name is 5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid
PubChem CID63565237
Molecular FormulaC11H11N3O5S
Molecular Weight297.29 g/mol
Exact Mass297.04
IUPAC Name5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2ncc[nH]2)cc1C(=O)O
InChIInChI=1S/C11H11N3O5S/c1-19-9-3-2-7(6-8(9)10(15)16)20(17,18)14-11-12-4-5-13-11/h2-6H,1H3,(H,15,16)(H2,12,13,14)
InChIKeyNSYPFVGPKWOBLB-UHFFFAOYSA-N
XLogP0.92
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-(1H-imidazol-2-ylsulfamoyl)benzoic acid
CID 55212179
2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid
CID 43323984
2-chloro-4-(1H-imidazol-2-ylsulfamoyl)benzoic acid
CID 107090081
2-methoxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid
CID 61394386
2-methoxy-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 114387105
N-(1H-imidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 63564852
5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid
CID 60784641
2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid
CID 83005779
N-(1H-imidazol-2-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 63562561
2-methoxy-5-(prop-2-ynylsulfamoyl)benzoic acid
CID 43323987
5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812258
5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56798970

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid?
The IUPAC name of 5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid (CID 63565237) is 5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid.
What is the SMILES notation for 5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid?
The canonical SMILES for 5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid is COc1ccc(S(=O)(=O)Nc2ncc[nH]2)cc1C(=O)O.
What is the InChIKey of 5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid?
The InChIKey is NSYPFVGPKWOBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5S/c1-19-9-3-2-7(6-8(9)10(15)16)20(17,18)14-11-12-4-5-13-11/h2-6H,1H3,(H,15,16)(H2,12,13,14).
What are the key properties of 5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid?
5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid has a molecular weight of 297.29 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid is sourced from PubChem (CID 63565237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).