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

C19H19F3N4O2S — CID 155342988

IUPACN-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccc(C(F)(F)F)cc2)c(-c2cn(C)cn2)c1
InChIInChI=1S/C19H19F3N4O2S/c1-23-29(27,28)15-7-8-17(16(9-15)18-11-26(2)12-25-18)24-10-13-3-5-14(6-4-13)19(20,21)22/h3-9,11-12,23-24H,10H2,1-2H3
InChIKeyTVBGCXJDLVRDSU-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.63
Rot. Bonds6

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

N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide (PubChem CID 155342988) has the molecular formula C19H19F3N4O2S and a molecular weight of 424.45 g/mol. Its IUPAC name is N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
PubChem CID155342988
Molecular FormulaC19H19F3N4O2S
Molecular Weight424.45 g/mol
Exact Mass424.12
IUPAC NameN-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccc(C(F)(F)F)cc2)c(-c2cn(C)cn2)c1
InChIInChI=1S/C19H19F3N4O2S/c1-23-29(27,28)15-7-8-17(16(9-15)18-11-26(2)12-25-18)24-10-13-3-5-14(6-4-13)19(20,21)22/h3-9,11-12,23-24H,10H2,1-2H3
InChIKeyTVBGCXJDLVRDSU-UHFFFAOYSA-N
XLogP3.63
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[2-(2-fluorophenyl)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1H-imidazol-4-ylmethyl)benzenesulfonamide
CID 483308
4-{5-[(4-Benzenesulfonyl-phenylamino)-methyl]-imidazol-1-ylmethyl}-benzonitrile
CID 10410324
4-(2-Pyridin-3-yl-4-trifluoromethyl-imidazol-1-yl)-benzenesulfonamide
CID 9799387
4-[2-(5-Methyl-pyridin-3-yl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 9842937
1-(4-(methylsulfonyl)phenyl]-2-phenyl-4-trifluoromethyl-1H-imidazole
CID 9947305
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-(4-Methyl-pyridin-2-yl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 10156720
4-[2-(3-Chloro-4-methyl-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 10158806

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide?
The IUPAC name of N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide (CID 155342988) is N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide?
The canonical SMILES for N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide is CNS(=O)(=O)c1ccc(NCc2ccc(C(F)(F)F)cc2)c(-c2cn(C)cn2)c1.
What is the InChIKey of N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide?
The InChIKey is TVBGCXJDLVRDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S/c1-23-29(27,28)15-7-8-17(16(9-15)18-11-26(2)12-25-18)24-10-13-3-5-14(6-4-13)19(20,21)22/h3-9,11-12,23-24H,10H2,1-2H3.
What are the key properties of N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide?
N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide has a molecular weight of 424.45 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylimidazol-4-yl)-4-[[4-(trifluoromethyl)phenyl]methylamino]benzenesulfonamide is sourced from PubChem (CID 155342988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).