4-[2-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide

C16H13BrF3N3O3S — CID 22998217

IUPAC4-[2-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CC(O)(C(F)(F)F)N=C2c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H13BrF3N3O3S/c17-11-3-1-10(2-4-11)14-22-15(24,16(18,19)20)9-23(14)12-5-7-13(8-6-12)27(21,25)26/h1-8,24H,9H2,(H2,21,25,26)
InChIKeyZXWLDQTXNKLPCR-UHFFFAOYSA-N
MW464.26 g/mol
LogP2.61
Rot. Bonds3

About 4-[2-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide

4-[2-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide (PubChem CID 22998217) has the molecular formula C16H13BrF3N3O3S and a molecular weight of 464.26 g/mol. Its IUPAC name is 4-[2-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
PubChem CID22998217
Molecular FormulaC16H13BrF3N3O3S
Molecular Weight464.26 g/mol
Exact Mass462.98
IUPAC Name4-[2-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CC(O)(C(F)(F)F)N=C2c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H13BrF3N3O3S/c17-11-3-1-10(2-4-11)14-22-15(24,16(18,19)20)9-23(14)12-5-7-13(8-6-12)27(21,25)26/h1-8,24H,9H2,(H2,21,25,26)
InChIKeyZXWLDQTXNKLPCR-UHFFFAOYSA-N
XLogP2.61
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.26
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 22998209
3-(4-bromophenyl)-2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 22997835
4-[2-(3-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 22998065
4-[3-(3-fluoro-4-methoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-2-yl]benzenesulfonamide
CID 22997697
2-(4-ethylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 22998091
4-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 162579127
2-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 10788846
2-(1,3-benzodioxol-5-yl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 10598616
4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide
CID 22997777
2-(3-chloro-4-methylsulfanylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 10742801
4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide
CID 22998229
4-[2-(4-bromophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide
CID 141417875

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide (CID 22998217) is 4-[2-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CC(O)(C(F)(F)F)N=C2c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[2-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide?
The InChIKey is ZXWLDQTXNKLPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF3N3O3S/c17-11-3-1-10(2-4-11)14-22-15(24,16(18,19)20)9-23(14)12-5-7-13(8-6-12)27(21,25)26/h1-8,24H,9H2,(H2,21,25,26).
What are the key properties of 4-[2-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide?
4-[2-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide has a molecular weight of 464.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 22998217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).