2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide

C9H8BrFN4O2S — CID 106491773

IUPAC2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
SMILESNc1cc(F)c(Br)cc1S(=O)(=O)Nc1ncc[nH]1
InChIInChI=1S/C9H8BrFN4O2S/c10-5-3-8(7(12)4-6(5)11)18(16,17)15-9-13-1-2-14-9/h1-4H,12H2,(H2,13,14,15)
InChIKeyUZCGHDGKOPGZIQ-UHFFFAOYSA-N
MW335.16 g/mol
LogP1.69
Rot. Bonds3

About 2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide

2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide (PubChem CID 106491773) has the molecular formula C9H8BrFN4O2S and a molecular weight of 335.16 g/mol. Its IUPAC name is 2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
PubChem CID106491773
Molecular FormulaC9H8BrFN4O2S
Molecular Weight335.16 g/mol
Exact Mass333.95
IUPAC Name2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
SMILESNc1cc(F)c(Br)cc1S(=O)(=O)Nc1ncc[nH]1
InChIInChI=1S/C9H8BrFN4O2S/c10-5-3-8(7(12)4-6(5)11)18(16,17)15-9-13-1-2-14-9/h1-4H,12H2,(H2,13,14,15)
InChIKeyUZCGHDGKOPGZIQ-UHFFFAOYSA-N
XLogP1.69
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-bromo-4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106491327
2-amino-5-bromo-4-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
CID 106492105
5-amino-3-fluoro-N-(1H-imidazol-2-yl)-2-methylbenzenesulfonamide
CID 79895976
2-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 63563905
5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide
CID 80645994
2-fluoro-N-(1H-imidazol-2-yl)-5-methylbenzenesulfonamide
CID 63562958
2-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 106491423
2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide
CID 107624682
2-amino-5-bromo-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 106491675
2-amino-5-bromo-N-(2-bromo-4-fluorophenyl)-4-fluorobenzenesulfonamide
CID 106491351
5-bromo-2-fluoro-3-(1H-imidazol-2-ylsulfamoyl)benzoic acid
CID 63565423
2-amino-6-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide
CID 63564716

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide (CID 106491773) is 2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide is Nc1cc(F)c(Br)cc1S(=O)(=O)Nc1ncc[nH]1.
What is the InChIKey of 2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide?
The InChIKey is UZCGHDGKOPGZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN4O2S/c10-5-3-8(7(12)4-6(5)11)18(16,17)15-9-13-1-2-14-9/h1-4H,12H2,(H2,13,14,15).
What are the key properties of 2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide?
2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide has a molecular weight of 335.16 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 106491773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).