3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide

C20H19F3N4O3S — CID 167308173

IUPAC3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2cn3c(n2)COCC3)c1
InChIInChI=1S/C20H19F3N4O3S/c1-24-31(28,29)15-6-7-17(25-14-4-2-13(3-5-14)20(21,22)23)16(10-15)18-11-27-8-9-30-12-19(27)26-18/h2-7,10-11,24-25H,8-9,12H2,1H3
InChIKeyVIEVEWWENAPZGL-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.75
Rot. Bonds5

About 3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide

3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide (PubChem CID 167308173) has the molecular formula C20H19F3N4O3S and a molecular weight of 452.46 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide
PubChem CID167308173
Molecular FormulaC20H19F3N4O3S
Molecular Weight452.46 g/mol
Exact Mass452.11
IUPAC Name3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2cn3c(n2)COCC3)c1
InChIInChI=1S/C20H19F3N4O3S/c1-24-31(28,29)15-6-7-17(25-14-4-2-13(3-5-14)20(21,22)23)16(10-15)18-11-27-8-9-30-12-19(27)26-18/h2-7,10-11,24-25H,8-9,12H2,1H3
InChIKeyVIEVEWWENAPZGL-UHFFFAOYSA-N
XLogP3.75
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6,6-dimethyl-5,7-dihydropyrrolo[1,2-a]imidazol-2-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 167308272
3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-N-methylbenzenesulfonamide
CID 167308072
ethane;5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzoic acid
CID 177315572
4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 159363476
N-methyl-3-[(6S)-6-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049351
N-methyl-3-[(6R)-6-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049373
N-methyl-5-(methylsulfamoyl)-2-[4-(trifluoromethyl)anilino]benzamide
CID 177315638
N-methyl-3-(1-methylimidazol-4-yl)-4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 163393358
5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-3-sulfonamide
CID 171049359
N-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide
CID 155342881
N-methyl-3-[(2R)-2-methyl-2,3-dihydroimidazo[2,1-b][1,3]oxazol-6-yl]-4-[[4-(trifluoromethyl)cyclohexyl]amino]benzenesulfonamide
CID 167308224
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 3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide?
The IUPAC name of 3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide (CID 167308173) is 3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide.
What is the SMILES notation for 3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide?
The canonical SMILES for 3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide is CNS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)c(-c2cn3c(n2)COCC3)c1.
What is the InChIKey of 3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide?
The InChIKey is VIEVEWWENAPZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3S/c1-24-31(28,29)15-6-7-17(25-14-4-2-13(3-5-14)20(21,22)23)16(10-15)18-11-27-8-9-30-12-19(27)26-18/h2-7,10-11,24-25H,8-9,12H2,1H3.
What are the key properties of 3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide?
3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide has a molecular weight of 452.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide is sourced from PubChem (CID 167308173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).