(1R)-1-cyclopropyl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol

C15H20F2N2O3S — CID 97039300

IUPAC(1R)-1-cyclopropyl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCN(C[C@H](O)C2CC2)CC1
InChIInChI=1S/C15H20F2N2O3S/c16-12-7-13(17)9-14(8-12)23(21,22)19-5-3-18(4-6-19)10-15(20)11-1-2-11/h7-9,11,15,20H,1-6,10H2/t15-/m0/s1
InChIKeyUMGNMFRAMYQTJD-HNNXBMFYSA-N
MW346.40 g/mol
LogP1.04
Rot. Bonds5

About (1R)-1-cyclopropyl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol

(1R)-1-cyclopropyl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 97039300) has the molecular formula C15H20F2N2O3S and a molecular weight of 346.40 g/mol. Its IUPAC name is (1R)-1-cyclopropyl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-cyclopropyl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
PubChem CID97039300
Molecular FormulaC15H20F2N2O3S
Molecular Weight346.40 g/mol
Exact Mass346.12
IUPAC Name(1R)-1-cyclopropyl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
SMILESO=S(=O)(c1cc(F)cc(F)c1)N1CCN(C[C@H](O)C2CC2)CC1
InChIInChI=1S/C15H20F2N2O3S/c16-12-7-13(17)9-14(8-12)23(21,22)19-5-3-18(4-6-19)10-15(20)11-1-2-11/h7-9,11,15,20H,1-6,10H2/t15-/m0/s1
InChIKeyUMGNMFRAMYQTJD-HNNXBMFYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopropyl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of (1R)-1-cyclopropyl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol (CID 97039300) is (1R)-1-cyclopropyl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-cyclopropyl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for (1R)-1-cyclopropyl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol is O=S(=O)(c1cc(F)cc(F)c1)N1CCN(C[C@H](O)C2CC2)CC1.
What is the InChIKey of (1R)-1-cyclopropyl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is UMGNMFRAMYQTJD-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20F2N2O3S/c16-12-7-13(17)9-14(8-12)23(21,22)19-5-3-18(4-6-19)10-15(20)11-1-2-11/h7-9,11,15,20H,1-6,10H2/t15-/m0/s1.
What are the key properties of (1R)-1-cyclopropyl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol?
(1R)-1-cyclopropyl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 346.40 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopropyl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 97039300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).