cyclopropyl-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylpiperazin-1-yl]methanone

C17H21F3N2O4S — CID 24764914

IUPACcyclopropyl-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylpiperazin-1-yl]methanone
SMILESCC(O)(c1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C17H21F3N2O4S/c1-16(24,17(18,19)20)13-4-6-14(7-5-13)27(25,26)22-10-8-21(9-11-22)15(23)12-2-3-12/h4-7,12,24H,2-3,8-11H2,1H3
InChIKeyALSPPQIUWNKBRZ-UHFFFAOYSA-N
MW406.43 g/mol
LogP1.70
Rot. Bonds4

About cyclopropyl-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylpiperazin-1-yl]methanone

cyclopropyl-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylpiperazin-1-yl]methanone (PubChem CID 24764914) has the molecular formula C17H21F3N2O4S and a molecular weight of 406.43 g/mol. Its IUPAC name is cyclopropyl-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylpiperazin-1-yl]methanone
PubChem CID24764914
Molecular FormulaC17H21F3N2O4S
Molecular Weight406.43 g/mol
Exact Mass406.12
IUPAC Namecyclopropyl-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylpiperazin-1-yl]methanone
SMILESCC(O)(c1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1)C(F)(F)F
InChIInChI=1S/C17H21F3N2O4S/c1-16(24,17(18,19)20)13-4-6-14(7-5-13)27(25,26)22-10-8-21(9-11-22)15(23)12-2-3-12/h4-7,12,24H,2-3,8-11H2,1H3
InChIKeyALSPPQIUWNKBRZ-UHFFFAOYSA-N
XLogP1.70
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylpiperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin-1-yl]methyl}cyclopropanecarboxamide
CID 24856362
1-(((3R)-3-methyl-4-(4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenylsulfonyl)piperazin-1-yl)methyl)cyclopropanecarboxamide
CID 11442292
1-(((3R)-3-methyl-4-(4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenylsulfonyl)piperazin-1-yl)methyl)cyclobutanecarboxamide
CID 11155482
1-(((R)-3-methyl-4-(4-((R)-1,1,1-trifluoro-2-hydroxypropan-2-yl)phenylsulfonyl)piperazin-1-yl)methyl)cyclopropanecarboxamide
CID 44564565
(4-(3-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)methanone
CID 42625945
1-[[(3R)-3-methyl-4-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]sulfonyl-(5,6-14C2)1,4-diazinan-1-yl]methyl]cyclopropane-1-carboxamide
CID 118721946
(3S)-N-butyl-4,4,4-trifluoro-3-hydroxy-N-(4-methylphenyl)sulfonyl-3-phenylbutanamide
CID 134955320
1,1,1-trifluoro-2-[4-[(2R)-4-[[1-(2-hydroxypropan-2-yl)cyclopropyl]methyl]-2-methylpiperazin-1-yl]sulfonylphenyl]propan-2-ol
CID 11167176
1-[[(3R)-3-methyl-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylpiperazin-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 11213095
1-[[(3R)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]sulfonyl-3-methylpiperazin-1-yl]methyl]cyclobutane-1-carboxamide
CID 11443751
2-[4-(2-Ethylpiperidin-1-yl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
CID 11494325
1,1,1-Trifluoro-2-[4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylphenyl]propan-2-ol
CID 11560507

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylpiperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylpiperazin-1-yl]methanone (CID 24764914) is cyclopropyl-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylpiperazin-1-yl]methanone is CC(O)(c1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1)C(F)(F)F.
What is the InChIKey of cyclopropyl-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylpiperazin-1-yl]methanone?
The InChIKey is ALSPPQIUWNKBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O4S/c1-16(24,17(18,19)20)13-4-6-14(7-5-13)27(25,26)22-10-8-21(9-11-22)15(23)12-2-3-12/h4-7,12,24H,2-3,8-11H2,1H3.
What are the key properties of cyclopropyl-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylpiperazin-1-yl]methanone?
cyclopropyl-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylpiperazin-1-yl]methanone has a molecular weight of 406.43 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 24764914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).