1-[(4-sulfamoylphenyl)methyl]imidazole-4-carboxylic acid

C11H11N3O4S — CID 114203651

IUPAC1-[(4-sulfamoylphenyl)methyl]imidazole-4-carboxylic acid
SMILESNS(=O)(=O)c1ccc(Cn2cnc(C(=O)O)c2)cc1
InChIInChI=1S/C11H11N3O4S/c12-19(17,18)9-3-1-8(2-4-9)5-14-6-10(11(15)16)13-7-14/h1-4,6-7H,5H2,(H,15,16)(H2,12,17,18)
InChIKeyQVXXJSQOBRVTBW-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.28
Rot. Bonds4

About 1-[(4-sulfamoylphenyl)methyl]imidazole-4-carboxylic acid

1-[(4-sulfamoylphenyl)methyl]imidazole-4-carboxylic acid (PubChem CID 114203651) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 1-[(4-sulfamoylphenyl)methyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-sulfamoylphenyl)methyl]imidazole-4-carboxylic acid
PubChem CID114203651
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name1-[(4-sulfamoylphenyl)methyl]imidazole-4-carboxylic acid
SMILESNS(=O)(=O)c1ccc(Cn2cnc(C(=O)O)c2)cc1
InChIInChI=1S/C11H11N3O4S/c12-19(17,18)9-3-1-8(2-4-9)5-14-6-10(11(15)16)13-7-14/h1-4,6-7H,5H2,(H,15,16)(H2,12,17,18)
InChIKeyQVXXJSQOBRVTBW-UHFFFAOYSA-N
XLogP0.28
TPSA115.28 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 ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-aminophenyl)methyl]imidazole-4-carboxylic acid
CID 97032468
1-[2-[(4-methylphenyl)sulfonylamino]ethyl]imidazole-4-carboxylic acid
CID 107498018
1-[2-(benzylsulfonylamino)ethyl]imidazole-4-carboxylic acid
CID 107497874
1-(1-benzylimidazol-4-yl)propan-1-one
CID 167005039
1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid
CID 82469769
1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxylic acid
CID 86277033
5-sulfamoylpyridine-2-carboxylic acid
CID 57336589
1-[(3-chloro-4-fluorophenyl)methyl]imidazole-4-sulfonamide
CID 103042428
1-[(4-tert-butylphenyl)methyl]imidazole-4-sulfonamide
CID 81339885
1-[(4-propan-2-ylphenyl)methyl]imidazole-4-sulfonamide
CID 81340177
4-amino-1-methyl-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide
CID 65354656
1-[2-(difluoromethylsulfonylamino)ethyl]imidazole-4-carboxylic acid
CID 107497760

Frequently Asked Questions

What is the IUPAC name of 1-[(4-sulfamoylphenyl)methyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[(4-sulfamoylphenyl)methyl]imidazole-4-carboxylic acid (CID 114203651) is 1-[(4-sulfamoylphenyl)methyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[(4-sulfamoylphenyl)methyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[(4-sulfamoylphenyl)methyl]imidazole-4-carboxylic acid is NS(=O)(=O)c1ccc(Cn2cnc(C(=O)O)c2)cc1.
What is the InChIKey of 1-[(4-sulfamoylphenyl)methyl]imidazole-4-carboxylic acid?
The InChIKey is QVXXJSQOBRVTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c12-19(17,18)9-3-1-8(2-4-9)5-14-6-10(11(15)16)13-7-14/h1-4,6-7H,5H2,(H,15,16)(H2,12,17,18).
What are the key properties of 1-[(4-sulfamoylphenyl)methyl]imidazole-4-carboxylic acid?
1-[(4-sulfamoylphenyl)methyl]imidazole-4-carboxylic acid has a molecular weight of 281.29 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-sulfamoylphenyl)methyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 114203651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).