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

C13H19FN2O3S — CID 94313893

IUPAC(2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H19FN2O3S/c1-11(17)10-15-6-8-16(9-7-15)20(18,19)13-4-2-12(14)3-5-13/h2-5,11,17H,6-10H2,1H3/t11-/m0/s1
InChIKeyOBDDJXIVXIKWGQ-NSHDSACASA-N
MW302.37 g/mol
LogP0.51
Rot. Bonds4

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

(2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol (PubChem CID 94313893) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is (2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
PubChem CID94313893
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name(2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H19FN2O3S/c1-11(17)10-15-6-8-16(9-7-15)20(18,19)13-4-2-12(14)3-5-13/h2-5,11,17H,6-10H2,1H3/t11-/m0/s1
InChIKeyOBDDJXIVXIKWGQ-NSHDSACASA-N
XLogP0.51
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-(Phenylsulfonyl)piperazin-1-yl)ethanol
CID 668789
2,6-Dimethyl-4-(phenylsulfonyl)morpholine
CID 2849564
1-[4-(4-Fluorophenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 16315813
4-(3,4-Difluorobenzenesulfonyl)-2,6-dimethylmorpholine
CID 3495349
1-Ethyl-4-[(2-fluorophenyl)sulfonyl]piperazine
CID 697753
1-((4-Fluorophenyl)sulfonyl)-4-methylpiperazine
CID 767914
2-(4-Tosylpiperazin-1-yl)ethanol
CID 796342
2-[4-(2,4-Difluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanol;hydrochloride
CID 45479736
1-((3-Fluorophenyl)sulfonyl)-4-methylpiperazine
CID 852182
4-(3-Fluorobenzenesulfonyl)-2,6-dimethylmorpholine
CID 2938759
1-(4-Fluorophenyl)sulfonyl-4-propylpiperazine
CID 3799369
2-(4-((4-Fluoro-3-methylphenyl)sulfonyl)piperazin-1-yl)ethanol
CID 16644904

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol (CID 94313893) is (2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol is C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The InChIKey is OBDDJXIVXIKWGQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-11(17)10-15-6-8-16(9-7-15)20(18,19)13-4-2-12(14)3-5-13/h2-5,11,17H,6-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
(2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol has a molecular weight of 302.37 g/mol, XLogP of 0.51, 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-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 94313893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).