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

C16H13F4N3O3S — CID 22998065

IUPAC4-[2-(3-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CC(O)(C(F)(F)F)N=C2c2cccc(F)c2)cc1
InChIInChI=1S/C16H13F4N3O3S/c17-11-3-1-2-10(8-11)14-22-15(24,16(18,19)20)9-23(14)12-4-6-13(7-5-12)27(21,25)26/h1-8,24H,9H2,(H2,21,25,26)
InChIKeyNOBPQBCAEJFMNZ-UHFFFAOYSA-N
MW403.36 g/mol
LogP1.99
Rot. Bonds3

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

4-[2-(3-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide (PubChem CID 22998065) has the molecular formula C16H13F4N3O3S and a molecular weight of 403.36 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
PubChem CID22998065
Molecular FormulaC16H13F4N3O3S
Molecular Weight403.36 g/mol
Exact Mass403.06
IUPAC Name4-[2-(3-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CC(O)(C(F)(F)F)N=C2c2cccc(F)c2)cc1
InChIInChI=1S/C16H13F4N3O3S/c17-11-3-1-2-10(8-11)14-22-15(24,16(18,19)20)9-23(14)12-4-6-13(7-5-12)27(21,25)26/h1-8,24H,9H2,(H2,21,25,26)
InChIKeyNOBPQBCAEJFMNZ-UHFFFAOYSA-N
XLogP1.99
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 51.99
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
4-[2-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 22998217
4-[3-(3-fluoro-4-methoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-2-yl]benzenesulfonamide
CID 22997697
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-(4-ethylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 22998091
2-(3-chloro-4-methylsulfanylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 10742801
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
4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide
CID 22998229
4-[2-(3-bromophenyl)-4-methyl-4,5-dihydroimidazol-1-yl]benzenesulfonamide
CID 118710111
4-[5-(3-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 42628036

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(3-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide (CID 22998065) is 4-[2-(3-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CC(O)(C(F)(F)F)N=C2c2cccc(F)c2)cc1.
What is the InChIKey of 4-[2-(3-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide?
The InChIKey is NOBPQBCAEJFMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N3O3S/c17-11-3-1-2-10(8-11)14-22-15(24,16(18,19)20)9-23(14)12-4-6-13(7-5-12)27(21,25)26/h1-8,24H,9H2,(H2,21,25,26).
What are the key properties of 4-[2-(3-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide?
4-[2-(3-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide has a molecular weight of 403.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 22998065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).