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

C11H11N3O4S — CID 69407652

IUPAC4-[(1-methylimidazol-2-yl)sulfonylamino]benzoic acid
SMILESCn1ccnc1S(=O)(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H11N3O4S/c1-14-7-6-12-11(14)19(17,18)13-9-4-2-8(3-5-9)10(15)16/h2-7,13H,1H3,(H,15,16)
InChIKeyILXVFTGRTQABCE-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.92
Rot. Bonds4

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

4-[(1-methylimidazol-2-yl)sulfonylamino]benzoic acid (PubChem CID 69407652) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)sulfonylamino]benzoic acid
PubChem CID69407652
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name4-[(1-methylimidazol-2-yl)sulfonylamino]benzoic acid
SMILESCn1ccnc1S(=O)(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H11N3O4S/c1-14-7-6-12-11(14)19(17,18)13-9-4-2-8(3-5-9)10(15)16/h2-7,13H,1H3,(H,15,16)
InChIKeyILXVFTGRTQABCE-UHFFFAOYSA-N
XLogP0.92
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-Imidazolyl)benzoic Acid
CID 736529
4-(2-(methylsulfanyl)-1H-imidazol-1-yl)benzoic acid
CID 39869086
Ethyl 4-(1-methyl-1H-imidazole-4-sulfonamido)benzoate
CID 20958607
ethyl 4-[(1H-imidazol-4-ylsulfonyl)amino]benzoate
CID 3237526
4-Bromo-3-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid
CID 104935792
4-{2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamido}benzoic acid
CID 677342
4-((2-(1H-imidazol-1-yl)ethyl)amino)benzoic acid
CID 13750115
4-(11-Imidazol-1-ylundecylamino)benzoic acid;hydrochloride
CID 45266015
4-Amino-3-(2-aminoimidazol-1-yl)benzoic acid
CID 5271914
4-(2-Methyl-1H-imidazol-1-YL)benzoic acid hydrochloride
CID 24229640
4-(2-Methyl-1H-imidazol-1-yl)benzoic acid hydrochloride hydrate
CID 44118781
4-(1H-imidazol-1-yl)-3-methylbenzoic acid
CID 62121315

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)sulfonylamino]benzoic acid?
The IUPAC name of 4-[(1-methylimidazol-2-yl)sulfonylamino]benzoic acid (CID 69407652) is 4-[(1-methylimidazol-2-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)sulfonylamino]benzoic acid is Cn1ccnc1S(=O)(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)sulfonylamino]benzoic acid?
The InChIKey is ILXVFTGRTQABCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-14-7-6-12-11(14)19(17,18)13-9-4-2-8(3-5-9)10(15)16/h2-7,13H,1H3,(H,15,16).
What are the key properties of 4-[(1-methylimidazol-2-yl)sulfonylamino]benzoic acid?
4-[(1-methylimidazol-2-yl)sulfonylamino]benzoic acid has a molecular weight of 281.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 69407652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).