N-methyl-3-(1-methylimidazol-4-yl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

C20H20F3N3O2S — CID 155656065

IUPACN-methyl-3-(1-methylimidazol-4-yl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CCc2ccc(C(F)(F)F)cc2)c(-c2cn(C)cn2)c1
InChIInChI=1S/C20H20F3N3O2S/c1-24-29(27,28)17-10-7-15(18(11-17)19-12-26(2)13-25-19)6-3-14-4-8-16(9-5-14)20(21,22)23/h4-5,7-13,24H,3,6H2,1-2H3
InChIKeyIMHOIFJSDGJTQS-UHFFFAOYSA-N
MW423.46 g/mol
LogP3.80
Rot. Bonds6

About N-methyl-3-(1-methylimidazol-4-yl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

N-methyl-3-(1-methylimidazol-4-yl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (PubChem CID 155656065) has the molecular formula C20H20F3N3O2S and a molecular weight of 423.46 g/mol. Its IUPAC name is N-methyl-3-(1-methylimidazol-4-yl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-(1-methylimidazol-4-yl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
PubChem CID155656065
Molecular FormulaC20H20F3N3O2S
Molecular Weight423.46 g/mol
Exact Mass423.12
IUPAC NameN-methyl-3-(1-methylimidazol-4-yl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CCc2ccc(C(F)(F)F)cc2)c(-c2cn(C)cn2)c1
InChIInChI=1S/C20H20F3N3O2S/c1-24-29(27,28)17-10-7-15(18(11-17)19-12-26(2)13-25-19)6-3-14-4-8-16(9-5-14)20(21,22)23/h4-5,7-13,24H,3,6H2,1-2H3
InChIKeyIMHOIFJSDGJTQS-UHFFFAOYSA-N
XLogP3.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Methyl-3-(1-methyl-1H-imidazol-4-yl)-4-((4-(trifluoromethyl)phenyl)amino)benzenesulfonamide
CID 137534047
N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide
CID 10151762
N-methyl-3-(1-methyl-1H-imidazol-4-yl)-4-(((4-(trifluoromethyl)phenyl)methyl)amino)benzene-1-sulfonamide
CID 155342988
4-(2-p-Tolyl-4-trifluoromethyl-imidazol-1-yl)-benzenesulfonamide
CID 10134425
4-(2-m-Tolyl-4-trifluoromethyl-imidazol-1-yl)-benzenesulfonamide
CID 10134426
4-(2-Phenyl-4-trifluoromethyl-imidazol-1-yl)-benzenesulfonamide
CID 10155819
4-[2-(3-Fluoro-5-methyl-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 10200928
N-methyl-N-[[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]methyl]benzenesulfonamide
CID 10310958
4-(2-o-Tolyl-4-trifluoromethyl-imidazol-1-yl)-benzenesulfonamide
CID 10385170
4-[2-(2-Fluoro-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 10407720
1-(4-Methanesulfonyl-phenyl)-2-o-tolyl-4-trifluoromethyl-1H-imidazole
CID 10452350
4-[2-(4-Fluoro-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 10572128

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylimidazol-4-yl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of N-methyl-3-(1-methylimidazol-4-yl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (CID 155656065) is N-methyl-3-(1-methylimidazol-4-yl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-(1-methylimidazol-4-yl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for N-methyl-3-(1-methylimidazol-4-yl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is CNS(=O)(=O)c1ccc(CCc2ccc(C(F)(F)F)cc2)c(-c2cn(C)cn2)c1.
What is the InChIKey of N-methyl-3-(1-methylimidazol-4-yl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The InChIKey is IMHOIFJSDGJTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2S/c1-24-29(27,28)17-10-7-15(18(11-17)19-12-26(2)13-25-19)6-3-14-4-8-16(9-5-14)20(21,22)23/h4-5,7-13,24H,3,6H2,1-2H3.
What are the key properties of N-methyl-3-(1-methylimidazol-4-yl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
N-methyl-3-(1-methylimidazol-4-yl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide has a molecular weight of 423.46 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylimidazol-4-yl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 155656065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).