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

C18H21FN2O3S — CID 9248169

IUPAC(1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C18H21FN2O3S/c19-16-7-4-8-17(13-16)25(23,24)21-11-9-20(10-12-21)14-18(22)15-5-2-1-3-6-15/h1-8,13,18,22H,9-12,14H2/t18-/m0/s1
InChIKeyYBBYSZQAGWFAPG-SFHVURJKSA-N
MW364.44 g/mol
LogP1.87
Rot. Bonds5

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

(1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol (PubChem CID 9248169) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is (1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
PubChem CID9248169
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name(1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
SMILESO=S(=O)(c1cccc(F)c1)N1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C18H21FN2O3S/c19-16-7-4-8-17(13-16)25(23,24)21-11-9-20(10-12-21)14-18(22)15-5-2-1-3-6-15/h1-8,13,18,22H,9-12,14H2/t18-/m0/s1
InChIKeyYBBYSZQAGWFAPG-SFHVURJKSA-N
XLogP1.87
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 2451043
(2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 97039313
1-[(2-fluorophenyl)methoxy]-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 55346214
1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 55439469
(1R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-phenylethanol
CID 31690686
(1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248105
propan-2-yl 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetate
CID 26011512
(1S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248163
(1R)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248165
3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8966713
(1S)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-phenylethanol
CID 9248094
2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]isoindole-1,3-dione
CID 8966684

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
The IUPAC name of (1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol (CID 9248169) is (1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
The canonical SMILES for (1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol is O=S(=O)(c1cccc(F)c1)N1CCN(C[C@H](O)c2ccccc2)CC1.
What is the InChIKey of (1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
The InChIKey is YBBYSZQAGWFAPG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c19-16-7-4-8-17(13-16)25(23,24)21-11-9-20(10-12-21)14-18(22)15-5-2-1-3-6-15/h1-8,13,18,22H,9-12,14H2/t18-/m0/s1.
What are the key properties of (1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
(1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol has a molecular weight of 364.44 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 9248169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).