[4-[3-hydroxy-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone

C22H20F6N2O4S — CID 42625465

IUPAC[4-[3-hydroxy-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESO=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(O)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H20F6N2O4S/c23-21(24,25)14-3-1-13(2-4-14)18-12-19(18)20(32)29-5-7-30(8-6-29)35(33,34)17-10-15(22(26,27)28)9-16(31)11-17/h1-4,9-11,18-19,31H,5-8,12H2/t18-,19+/m0/s1
InChIKeyJVZHJIRJEYAROV-RBUKOAKNSA-N
MW522.47 g/mol
LogP4.07
Rot. Bonds4

About [4-[3-hydroxy-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone

[4-[3-hydroxy-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone (PubChem CID 42625465) has the molecular formula C22H20F6N2O4S and a molecular weight of 522.47 g/mol. Its IUPAC name is [4-[3-hydroxy-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone.

Molecular Properties

Compound Name[4-[3-hydroxy-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
PubChem CID42625465
Molecular FormulaC22H20F6N2O4S
Molecular Weight522.47 g/mol
Exact Mass522.10
IUPAC Name[4-[3-hydroxy-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESO=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(O)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H20F6N2O4S/c23-21(24,25)14-3-1-13(2-4-14)18-12-19(18)20(32)29-5-7-30(8-6-29)35(33,34)17-10-15(22(26,27)28)9-16(31)11-17/h1-4,9-11,18-19,31H,5-8,12H2/t18-,19+/m0/s1
InChIKeyJVZHJIRJEYAROV-RBUKOAKNSA-N
XLogP4.07
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[3-hydroxy-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]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

(4-(3-methoxy-5-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)methanone
CID 42625863
(4-(3-isopropoxy-5-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)methanone
CID 42625864
3-(trifluoromethyl)-5-(4-((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropanecarbonyl)piperazin-1-ylsulfonyl)phenyl pivalate
CID 42625466
3-(trifluoromethyl)-5-(4-((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropanecarbonyl)piperazin-1-ylsulfonyl)phenyl dimethylcarbamate
CID 42625547
(4-(3-(2,2,2-trifluoro-1-hydroxyethyl)-5-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)methanone
CID 42625550
3-(trifluoromethyl)-5-(4-((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropanecarbonyl)piperazin-1-ylsulfonyl)phenyl propionate
CID 42625865
(4-(3-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)methanone
CID 42625945
[4-[3-(2,2,2-Trifluoro-1-hydroxyethyl)-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 57896615
[4-[3-(Fluoromethyl)-5-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]sulfonylpiperazin-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 87692747
1-[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 8377871
3-(2-Fluorophenyl)-1-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 55862655
3-(4-Fluorophenyl)-1-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 56026121

Frequently Asked Questions

What is the IUPAC name of [4-[3-hydroxy-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The IUPAC name of [4-[3-hydroxy-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone (CID 42625465) is [4-[3-hydroxy-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone.
What is the SMILES notation for [4-[3-hydroxy-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The canonical SMILES for [4-[3-hydroxy-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone is O=C([C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc(O)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of [4-[3-hydroxy-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The InChIKey is JVZHJIRJEYAROV-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H20F6N2O4S/c23-21(24,25)14-3-1-13(2-4-14)18-12-19(18)20(32)29-5-7-30(8-6-29)35(33,34)17-10-15(22(26,27)28)9-16(31)11-17/h1-4,9-11,18-19,31H,5-8,12H2/t18-,19+/m0/s1.
What are the key properties of [4-[3-hydroxy-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone?
[4-[3-hydroxy-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone has a molecular weight of 522.47 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-hydroxy-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone is sourced from PubChem (CID 42625465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).