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

C17H15F4N3O4S — CID 22997697

IUPAC4-[3-(3-fluoro-4-methoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(N2CC(O)(C(F)(F)F)N=C2c2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C17H15F4N3O4S/c1-28-14-7-4-11(8-13(14)18)24-9-16(25,17(19,20)21)23-15(24)10-2-5-12(6-3-10)29(22,26)27/h2-8,25H,9H2,1H3,(H2,22,26,27)
InChIKeyDAPZWPXMMUJVOS-UHFFFAOYSA-N
MW433.38 g/mol
LogP2.00
Rot. Bonds4

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

4-[3-(3-fluoro-4-methoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-2-yl]benzenesulfonamide (PubChem CID 22997697) has the molecular formula C17H15F4N3O4S and a molecular weight of 433.38 g/mol. Its IUPAC name is 4-[3-(3-fluoro-4-methoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(3-fluoro-4-methoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-2-yl]benzenesulfonamide
PubChem CID22997697
Molecular FormulaC17H15F4N3O4S
Molecular Weight433.38 g/mol
Exact Mass433.07
IUPAC Name4-[3-(3-fluoro-4-methoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(N2CC(O)(C(F)(F)F)N=C2c2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C17H15F4N3O4S/c1-28-14-7-4-11(8-13(14)18)24-9-16(25,17(19,20)21)23-15(24)10-2-5-12(6-3-10)29(22,26)27/h2-8,25H,9H2,1H3,(H2,22,26,27)
InChIKeyDAPZWPXMMUJVOS-UHFFFAOYSA-N
XLogP2.00
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 10788846
4-[2-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 22998209
4-[2-(3-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 22998065
(5R)-2-(3-fluoro-4-methoxyphenyl)-5-methylsulfonyl-3-phenyl-5-(trifluoromethyl)-4H-imidazole
CID 142918719
2-(4-ethylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 22998091
4-[5-(3-fluoro-4-methoxyphenyl)-3-(1-fluoro-1-phosphanylethyl)pyrazol-1-yl]benzenesulfonamide
CID 143009192
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-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 162579127
4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide
CID 22997777
4-[5-(3-fluoro-4-methoxyphenyl)cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370587
4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10808251

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(3-fluoro-4-methoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-2-yl]benzenesulfonamide (CID 22997697) is 4-[3-(3-fluoro-4-methoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(3-fluoro-4-methoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(3-fluoro-4-methoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-2-yl]benzenesulfonamide is COc1ccc(N2CC(O)(C(F)(F)F)N=C2c2ccc(S(N)(=O)=O)cc2)cc1F.
What is the InChIKey of 4-[3-(3-fluoro-4-methoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-2-yl]benzenesulfonamide?
The InChIKey is DAPZWPXMMUJVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3O4S/c1-28-14-7-4-11(8-13(14)18)24-9-16(25,17(19,20)21)23-15(24)10-2-5-12(6-3-10)29(22,26)27/h2-8,25H,9H2,1H3,(H2,22,26,27).
What are the key properties of 4-[3-(3-fluoro-4-methoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-2-yl]benzenesulfonamide?
4-[3-(3-fluoro-4-methoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-2-yl]benzenesulfonamide has a molecular weight of 433.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoro-4-methoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 22997697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).