2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole

C17H14ClF3N2O2S — CID 134951056

IUPAC2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole
SMILESCc1ccc(S(=O)(=O)N2C(c3ccc(Cl)cc3)=NCC2C(F)(F)F)cc1
InChIInChI=1S/C17H14ClF3N2O2S/c1-11-2-8-14(9-3-11)26(24,25)23-15(17(19,20)21)10-22-16(23)12-4-6-13(18)7-5-12/h2-9,15H,10H2,1H3
InChIKeyVHQQAIVFEOCHGR-UHFFFAOYSA-N
MW402.83 g/mol
LogP4.03
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole

2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole (PubChem CID 134951056) has the molecular formula C17H14ClF3N2O2S and a molecular weight of 402.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole
PubChem CID134951056
Molecular FormulaC17H14ClF3N2O2S
Molecular Weight402.83 g/mol
Exact Mass402.04
IUPAC Name2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole
SMILESCc1ccc(S(=O)(=O)N2C(c3ccc(Cl)cc3)=NCC2C(F)(F)F)cc1
InChIInChI=1S/C17H14ClF3N2O2S/c1-11-2-8-14(9-3-11)26(24,25)23-15(17(19,20)21)10-22-16(23)12-4-6-13(18)7-5-12/h2-9,15H,10H2,1H3
InChIKeyVHQQAIVFEOCHGR-UHFFFAOYSA-N
XLogP4.03
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.83
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole
CID 134951055
(2R)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine
CID 11448470
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine
CID 102126195
1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 67505560
5-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 78141035
3,5-bis(4-chlorophenyl)-4-cyclohexyl-2-(4-methylphenyl)sulfonyl-3H-1,2,4-triazole
CID 135063237
3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 86224949
3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)azetidin-2-one
CID 75529929
1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
CID 34885089
(2S)-4,5-bis(4-chlorophenyl)-2-heptyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole
CID 154714751
1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 55352164
(3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine
CID 12598044

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole (CID 134951056) is 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole is Cc1ccc(S(=O)(=O)N2C(c3ccc(Cl)cc3)=NCC2C(F)(F)F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole?
The InChIKey is VHQQAIVFEOCHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O2S/c1-11-2-8-14(9-3-11)26(24,25)23-15(17(19,20)21)10-22-16(23)12-4-6-13(18)7-5-12/h2-9,15H,10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole?
2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole has a molecular weight of 402.83 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 134951056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).