4-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide

C17H16F3N3O2S — CID 162579127

IUPAC4-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
SMILESCC1(C(F)(F)F)CN(c2ccc(S(N)(=O)=O)cc2)C(c2ccccc2)=N1
InChIInChI=1S/C17H16F3N3O2S/c1-16(17(18,19)20)11-23(15(22-16)12-5-3-2-4-6-12)13-7-9-14(10-8-13)26(21,24)25/h2-10H,11H2,1H3,(H2,21,24,25)
InChIKeyMNWSPIIVRMSPPI-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.92
Rot. Bonds3

About 4-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide

4-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide (PubChem CID 162579127) has the molecular formula C17H16F3N3O2S and a molecular weight of 383.40 g/mol. Its IUPAC name is 4-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
PubChem CID162579127
Molecular FormulaC17H16F3N3O2S
Molecular Weight383.40 g/mol
Exact Mass383.09
IUPAC Name4-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
SMILESCC1(C(F)(F)F)CN(c2ccc(S(N)(=O)=O)cc2)C(c2ccccc2)=N1
InChIInChI=1S/C17H16F3N3O2S/c1-16(17(18,19)20)11-23(15(22-16)12-5-3-2-4-6-12)13-7-9-14(10-8-13)26(21,24)25/h2-10H,11H2,1H3,(H2,21,24,25)
InChIKeyMNWSPIIVRMSPPI-UHFFFAOYSA-N
XLogP2.92
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[2-(3-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 22998065
4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide
CID 22998229
4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide
CID 22997777
4-[3-(3-fluoro-4-methoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-2-yl]benzenesulfonamide
CID 22997697
4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzenesulfonamide
CID 1488674
4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 19085974
4-[5-benzoyl-2-(2-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide
CID 67635009
2-(4-ethylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 22998091
4-[4-hydroxy-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10738721
4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 163544400

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide (CID 162579127) is 4-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide is CC1(C(F)(F)F)CN(c2ccc(S(N)(=O)=O)cc2)C(c2ccccc2)=N1.
What is the InChIKey of 4-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide?
The InChIKey is MNWSPIIVRMSPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2S/c1-16(17(18,19)20)11-23(15(22-16)12-5-3-2-4-6-12)13-7-9-14(10-8-13)26(21,24)25/h2-10H,11H2,1H3,(H2,21,24,25).
What are the key properties of 4-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide?
4-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide has a molecular weight of 383.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 162579127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).