(2S)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol

C14H19F3N2O3S — CID 97039326

IUPAC(2S)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H19F3N2O3S/c1-11(20)10-18-6-8-19(9-7-18)23(21,22)13-4-2-12(3-5-13)14(15,16)17/h2-5,11,20H,6-10H2,1H3/t11-/m0/s1
InChIKeyQGICBVHIFNFPTB-NSHDSACASA-N
MW352.38 g/mol
LogP1.39
Rot. Bonds4

About (2S)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol

(2S)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol (PubChem CID 97039326) has the molecular formula C14H19F3N2O3S and a molecular weight of 352.38 g/mol. Its IUPAC name is (2S)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol
PubChem CID97039326
Molecular FormulaC14H19F3N2O3S
Molecular Weight352.38 g/mol
Exact Mass352.11
IUPAC Name(2S)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H19F3N2O3S/c1-11(20)10-18-6-8-19(9-7-18)23(21,22)13-4-2-12(3-5-13)14(15,16)17/h2-5,11,20H,6-10H2,1H3/t11-/m0/s1
InChIKeyQGICBVHIFNFPTB-NSHDSACASA-N
XLogP1.39
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol (CID 97039326) is (2S)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol is C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of (2S)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol?
The InChIKey is QGICBVHIFNFPTB-NSHDSACASA-N. The full InChI is InChI=1S/C14H19F3N2O3S/c1-11(20)10-18-6-8-19(9-7-18)23(21,22)13-4-2-12(3-5-13)14(15,16)17/h2-5,11,20H,6-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol?
(2S)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol has a molecular weight of 352.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 97039326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).