3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid

C11H11N3O4S — CID 62999270

IUPAC3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid
SMILESCc1ncc(S(=O)(=O)Nc2cccc(C(=O)O)c2)[nH]1
InChIInChI=1S/C11H11N3O4S/c1-7-12-6-10(13-7)19(17,18)14-9-4-2-3-8(5-9)11(15)16/h2-6,14H,1H3,(H,12,13)(H,15,16)
InChIKeyRYBXEQLSHHQLFA-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.22
Rot. Bonds4

About 3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid

3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid (PubChem CID 62999270) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid
PubChem CID62999270
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid
SMILESCc1ncc(S(=O)(=O)Nc2cccc(C(=O)O)c2)[nH]1
InChIInChI=1S/C11H11N3O4S/c1-7-12-6-10(13-7)19(17,18)14-9-4-2-3-8(5-9)11(15)16/h2-6,14H,1H3,(H,12,13)(H,15,16)
InChIKeyRYBXEQLSHHQLFA-UHFFFAOYSA-N
XLogP1.22
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 63000163
2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide
CID 62998902
2-[3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]phenoxy]acetamide
CID 63000197
2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide
CID 63000218
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103798260
N-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 64786558
N-(4-fluorophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62998345
N-(2,6-dibromophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 104922595
3,5-dimethyl-2-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid
CID 63000406
3-[(6-chloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 7938689
3-[(methylsulfonimidoyl)amino]benzoic acid
CID 164648451
5-[(3-carboxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 45407611

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid?
The IUPAC name of 3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid (CID 62999270) is 3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid is Cc1ncc(S(=O)(=O)Nc2cccc(C(=O)O)c2)[nH]1.
What is the InChIKey of 3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid?
The InChIKey is RYBXEQLSHHQLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-7-12-6-10(13-7)19(17,18)14-9-4-2-3-8(5-9)11(15)16/h2-6,14H,1H3,(H,12,13)(H,15,16).
What are the key properties of 3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid?
3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid has a molecular weight of 281.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 62999270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).