(2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol

C13H19FN2O3S — CID 97039313

IUPAC(2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C13H19FN2O3S/c1-11(17)10-15-5-7-16(8-6-15)20(18,19)13-4-2-3-12(14)9-13/h2-4,9,11,17H,5-8,10H2,1H3/t11-/m1/s1
InChIKeySYGOHHVGPGTGGU-LLVKDONJSA-N
MW302.37 g/mol
LogP0.51
Rot. Bonds4

About (2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol

(2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol (PubChem CID 97039313) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is (2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
PubChem CID97039313
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name(2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C13H19FN2O3S/c1-11(17)10-15-5-7-16(8-6-15)20(18,19)13-4-2-3-12(14)9-13/h2-4,9,11,17H,5-8,10H2,1H3/t11-/m1/s1
InChIKeySYGOHHVGPGTGGU-LLVKDONJSA-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

(1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248169
propan-2-yl 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetate
CID 26011512
1-[(2-fluorophenyl)methoxy]-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 55346214
2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-4-propan-2-ylphenol
CID 2663725
1-(3-fluorophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine;hydrochloride
CID 163331829
3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8966713
2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 8966850
3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
CID 100653397
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride
CID 163331804
1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 55439469
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol (CID 97039313) is (2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol is C[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of (2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The InChIKey is SYGOHHVGPGTGGU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-11(17)10-15-5-7-16(8-6-15)20(18,19)13-4-2-3-12(14)9-13/h2-4,9,11,17H,5-8,10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
(2R)-1-[4-(3-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 (2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 97039313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).