5-bromo-2-fluoro-3-(1H-imidazol-2-ylsulfamoyl)benzoic acid

C10H7BrFN3O4S — CID 63565423

IUPAC5-bromo-2-fluoro-3-(1H-imidazol-2-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(Br)cc(S(=O)(=O)Nc2ncc[nH]2)c1F
InChIInChI=1S/C10H7BrFN3O4S/c11-5-3-6(9(16)17)8(12)7(4-5)20(18,19)15-10-13-1-2-14-10/h1-4H,(H,16,17)(H2,13,14,15)
InChIKeyMZRGNRULLKIEFA-UHFFFAOYSA-N
MW364.15 g/mol
LogP1.81
Rot. Bonds4

About 5-bromo-2-fluoro-3-(1H-imidazol-2-ylsulfamoyl)benzoic acid

5-bromo-2-fluoro-3-(1H-imidazol-2-ylsulfamoyl)benzoic acid (PubChem CID 63565423) has the molecular formula C10H7BrFN3O4S and a molecular weight of 364.15 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-(1H-imidazol-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-(1H-imidazol-2-ylsulfamoyl)benzoic acid
PubChem CID63565423
Molecular FormulaC10H7BrFN3O4S
Molecular Weight364.15 g/mol
Exact Mass362.93
IUPAC Name5-bromo-2-fluoro-3-(1H-imidazol-2-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(Br)cc(S(=O)(=O)Nc2ncc[nH]2)c1F
InChIInChI=1S/C10H7BrFN3O4S/c11-5-3-6(9(16)17)8(12)7(4-5)20(18,19)15-10-13-1-2-14-10/h1-4H,(H,16,17)(H2,13,14,15)
InChIKeyMZRGNRULLKIEFA-UHFFFAOYSA-N
XLogP1.81
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.15
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-fluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 43323216
5-bromo-2-fluoro-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
CID 43323944
5-bromo-2-fluoro-3-(1,2-oxazol-4-ylsulfamoyl)benzoic acid
CID 62904170
5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide
CID 80645994
5-bromo-2-fluoro-3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 107215547
2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 106491773
2-chloro-5-(1H-imidazol-2-ylsulfamoyl)benzoic acid
CID 55212179
2-fluoro-N-(1H-imidazol-2-yl)-5-methylbenzenesulfonamide
CID 63562958
2-chloro-4-(1H-imidazol-2-ylsulfamoyl)benzoic acid
CID 107090081
5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid
CID 63565237
2-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 63563905
5-bromo-2-fluoro-3-(2-propan-2-yloxyethylsulfamoyl)benzoic acid
CID 104759163

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-3-(1H-imidazol-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 5-bromo-2-fluoro-3-(1H-imidazol-2-ylsulfamoyl)benzoic acid (CID 63565423) is 5-bromo-2-fluoro-3-(1H-imidazol-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 5-bromo-2-fluoro-3-(1H-imidazol-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 5-bromo-2-fluoro-3-(1H-imidazol-2-ylsulfamoyl)benzoic acid is O=C(O)c1cc(Br)cc(S(=O)(=O)Nc2ncc[nH]2)c1F.
What is the InChIKey of 5-bromo-2-fluoro-3-(1H-imidazol-2-ylsulfamoyl)benzoic acid?
The InChIKey is MZRGNRULLKIEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN3O4S/c11-5-3-6(9(16)17)8(12)7(4-5)20(18,19)15-10-13-1-2-14-10/h1-4H,(H,16,17)(H2,13,14,15).
What are the key properties of 5-bromo-2-fluoro-3-(1H-imidazol-2-ylsulfamoyl)benzoic acid?
5-bromo-2-fluoro-3-(1H-imidazol-2-ylsulfamoyl)benzoic acid has a molecular weight of 364.15 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-3-(1H-imidazol-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 63565423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).