N-[(4S)-1-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]methanesulfonamide

C17H15ClF3N3O2S — CID 69047018

IUPACN-[(4S)-1-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1=N[C@@H](c2cccc(C(F)(F)F)c2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF3N3O2S/c1-27(25,26)23-16-22-15(10-24(16)14-7-5-13(18)6-8-14)11-3-2-4-12(9-11)17(19,20)21/h2-9,15H,10H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyOJDOJALZYDRGGQ-OAHLLOKOSA-N
MW417.84 g/mol
LogP3.83
Rot. Bonds3

About N-[(4S)-1-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]methanesulfonamide

N-[(4S)-1-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]methanesulfonamide (PubChem CID 69047018) has the molecular formula C17H15ClF3N3O2S and a molecular weight of 417.84 g/mol. Its IUPAC name is N-[(4S)-1-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4S)-1-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]methanesulfonamide
PubChem CID69047018
Molecular FormulaC17H15ClF3N3O2S
Molecular Weight417.84 g/mol
Exact Mass417.05
IUPAC NameN-[(4S)-1-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1=N[C@@H](c2cccc(C(F)(F)F)c2)CN1c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF3N3O2S/c1-27(25,26)23-16-22-15(10-24(16)14-7-5-13(18)6-8-14)11-3-2-4-12(9-11)17(19,20)21/h2-9,15H,10H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyOJDOJALZYDRGGQ-OAHLLOKOSA-N
XLogP3.83
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.84
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 128963640
1-[3-[2-(4-chlorophenoxy)phenyl]-4-methylsulfonylphenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69043142
(3R)-1-(4-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 1103942
1-[4-(4-chlorophenoxy)phenyl]-2-(sulfinamoylamino)-5-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
CID 143702874
2-[3-(4-chlorophenyl)-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-N-propylacetamide
CID 68703664
6-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride
CID 159455563
1-(4-methylphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]aziridine
CID 59485705
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 7549174
3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68705698
(3R,4R)-4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71351790
4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71341015
4-[(4-chlorophenyl)-hydroxymethylidene]-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 3734576

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]methanesulfonamide?
The IUPAC name of N-[(4S)-1-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]methanesulfonamide (CID 69047018) is N-[(4S)-1-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(4S)-1-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]methanesulfonamide?
The canonical SMILES for N-[(4S)-1-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]methanesulfonamide is CS(=O)(=O)NC1=N[C@@H](c2cccc(C(F)(F)F)c2)CN1c1ccc(Cl)cc1.
What is the InChIKey of N-[(4S)-1-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]methanesulfonamide?
The InChIKey is OJDOJALZYDRGGQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15ClF3N3O2S/c1-27(25,26)23-16-22-15(10-24(16)14-7-5-13(18)6-8-14)11-3-2-4-12(9-11)17(19,20)21/h2-9,15H,10H2,1H3,(H,22,23)/t15-/m1/s1.
What are the key properties of N-[(4S)-1-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]methanesulfonamide?
N-[(4S)-1-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]methanesulfonamide has a molecular weight of 417.84 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-(4-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazol-2-yl]methanesulfonamide is sourced from PubChem (CID 69047018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).