4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline

C19H18F3N3O2S — CID 159363476

IUPAC4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCCS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2cn(C)cn2)c1
InChIInChI=1S/C19H18F3N3O2S/c1-3-28(26,27)15-8-9-17(16(10-15)18-11-25(2)12-23-18)24-14-6-4-13(5-7-14)19(20,21)22/h4-12,24H,3H2,1-2H3
InChIKeyRIHYGNNSJHLCNZ-UHFFFAOYSA-N
MW409.43 g/mol
LogP4.64
Rot. Bonds5

About 4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline

4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 159363476) has the molecular formula C19H18F3N3O2S and a molecular weight of 409.43 g/mol. Its IUPAC name is 4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID159363476
Molecular FormulaC19H18F3N3O2S
Molecular Weight409.43 g/mol
Exact Mass409.11
IUPAC Name4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCCS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2cn(C)cn2)c1
InChIInChI=1S/C19H18F3N3O2S/c1-3-28(26,27)15-8-9-17(16(10-15)18-11-25(2)12-23-18)24-14-6-4-13(5-7-14)19(20,21)22/h4-12,24H,3H2,1-2H3
InChIKeyRIHYGNNSJHLCNZ-UHFFFAOYSA-N
XLogP4.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-1-[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]ethanone
CID 167565620
N-[2-(1-methylimidazol-4-yl)-4-propan-2-ylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 163393892
1-[[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]methyl]imidazolidin-2-one
CID 170739668
3-methyl-3-[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]pyrrolidine-2,4-dione
CID 174174053
N-methyl-3-(1-methylimidazol-4-yl)-4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 163393358
N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 157460725
N-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide
CID 155342881
N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 155342855
N-(1,3-benzothiazol-6-ylmethyl)-4-ethylsulfonyl-2-(1-methylimidazol-4-yl)aniline
CID 158442556
3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide
CID 167308173
4-dimethylphosphoryl-2-(1-methylimidazol-4-yl)-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]aniline;ethane;2-(1-methylimidazol-4-yl)-4-(phospholan-1-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 169246488
4-[[5-[cyclopropyloxy(difluoro)methyl]-2-pyridinyl]amino]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide
CID 166161977

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline (CID 159363476) is 4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline is CCS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2cn(C)cn2)c1.
What is the InChIKey of 4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is RIHYGNNSJHLCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2S/c1-3-28(26,27)15-8-9-17(16(10-15)18-11-25(2)12-23-18)24-14-6-4-13(5-7-14)19(20,21)22/h4-12,24H,3H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 409.43 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 159363476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).