2-chloro-4-(1H-imidazol-2-ylsulfamoyl)benzoic acid

C10H8ClN3O4S — CID 107090081

IUPAC2-chloro-4-(1H-imidazol-2-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ncc[nH]2)cc1Cl
InChIInChI=1S/C10H8ClN3O4S/c11-8-5-6(1-2-7(8)9(15)16)19(17,18)14-10-12-3-4-13-10/h1-5H,(H,15,16)(H2,12,13,14)
InChIKeyNXEYNVDCSIEGBQ-UHFFFAOYSA-N
MW301.71 g/mol
LogP1.56
Rot. Bonds4

About 2-chloro-4-(1H-imidazol-2-ylsulfamoyl)benzoic acid

2-chloro-4-(1H-imidazol-2-ylsulfamoyl)benzoic acid (PubChem CID 107090081) has the molecular formula C10H8ClN3O4S and a molecular weight of 301.71 g/mol. Its IUPAC name is 2-chloro-4-(1H-imidazol-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(1H-imidazol-2-ylsulfamoyl)benzoic acid
PubChem CID107090081
Molecular FormulaC10H8ClN3O4S
Molecular Weight301.71 g/mol
Exact Mass300.99
IUPAC Name2-chloro-4-(1H-imidazol-2-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ncc[nH]2)cc1Cl
InChIInChI=1S/C10H8ClN3O4S/c11-8-5-6(1-2-7(8)9(15)16)19(17,18)14-10-12-3-4-13-10/h1-5H,(H,15,16)(H2,12,13,14)
InChIKeyNXEYNVDCSIEGBQ-UHFFFAOYSA-N
XLogP1.56
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.71
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(1H-imidazol-2-ylsulfamoyl)benzoic acid
CID 55212179
2-chloro-4-(1H-imidazol-2-ylmethylsulfamoyl)benzoic acid
CID 107090121
5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid
CID 63565237
2-chloro-4-(pyridin-4-ylsulfamoyl)benzoic acid
CID 107089863
2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid
CID 103710289
2-chloro-4-[(5-fluoro-2-pyridinyl)sulfamoyl]benzoic acid
CID 107090141
N-(1H-imidazol-2-yl)-4-iodobenzenesulfonamide
CID 63564855
3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide
CID 63562930
2-chloro-4-[(3-iodophenyl)sulfamoyl]benzoic acid
CID 103710305
N-(1H-imidazol-2-yl)-3-propanoylbenzenesulfonamide
CID 63563189
5-bromo-2-fluoro-3-(1H-imidazol-2-ylsulfamoyl)benzoic acid
CID 63565423
4-amino-2,6-dichloro-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 63564448

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1H-imidazol-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-chloro-4-(1H-imidazol-2-ylsulfamoyl)benzoic acid (CID 107090081) is 2-chloro-4-(1H-imidazol-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-chloro-4-(1H-imidazol-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-chloro-4-(1H-imidazol-2-ylsulfamoyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)Nc2ncc[nH]2)cc1Cl.
What is the InChIKey of 2-chloro-4-(1H-imidazol-2-ylsulfamoyl)benzoic acid?
The InChIKey is NXEYNVDCSIEGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O4S/c11-8-5-6(1-2-7(8)9(15)16)19(17,18)14-10-12-3-4-13-10/h1-5H,(H,15,16)(H2,12,13,14).
What are the key properties of 2-chloro-4-(1H-imidazol-2-ylsulfamoyl)benzoic acid?
2-chloro-4-(1H-imidazol-2-ylsulfamoyl)benzoic acid has a molecular weight of 301.71 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1H-imidazol-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 107090081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).