(1S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(furan-2-yl)ethanol

C16H19FN2O4S — CID 34514470

IUPAC(1S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(furan-2-yl)ethanol
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(C[C@H](O)c2ccco2)CC1
InChIInChI=1S/C16H19FN2O4S/c17-13-3-5-14(6-4-13)24(21,22)19-9-7-18(8-10-19)12-15(20)16-2-1-11-23-16/h1-6,11,15,20H,7-10,12H2/t15-/m0/s1
InChIKeyBGCIDQPBFVTPAO-HNNXBMFYSA-N
MW354.40 g/mol
LogP1.46
Rot. Bonds5

About (1S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(furan-2-yl)ethanol

(1S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(furan-2-yl)ethanol (PubChem CID 34514470) has the molecular formula C16H19FN2O4S and a molecular weight of 354.40 g/mol. Its IUPAC name is (1S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(furan-2-yl)ethanol
PubChem CID34514470
Molecular FormulaC16H19FN2O4S
Molecular Weight354.40 g/mol
Exact Mass354.10
IUPAC Name(1S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(furan-2-yl)ethanol
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(C[C@H](O)c2ccco2)CC1
InChIInChI=1S/C16H19FN2O4S/c17-13-3-5-14(6-4-13)24(21,22)19-9-7-18(8-10-19)12-15(20)16-2-1-11-23-16/h1-6,11,15,20H,7-10,12H2/t15-/m0/s1
InChIKeyBGCIDQPBFVTPAO-HNNXBMFYSA-N
XLogP1.46
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(furan-2-yl)ethanol?
The IUPAC name of (1S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(furan-2-yl)ethanol (CID 34514470) is (1S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(furan-2-yl)ethanol.
What is the SMILES notation for (1S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(furan-2-yl)ethanol?
The canonical SMILES for (1S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(furan-2-yl)ethanol is O=S(=O)(c1ccc(F)cc1)N1CCN(C[C@H](O)c2ccco2)CC1.
What is the InChIKey of (1S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(furan-2-yl)ethanol?
The InChIKey is BGCIDQPBFVTPAO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19FN2O4S/c17-13-3-5-14(6-4-13)24(21,22)19-9-7-18(8-10-19)12-15(20)16-2-1-11-23-16/h1-6,11,15,20H,7-10,12H2/t15-/m0/s1.
What are the key properties of (1S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(furan-2-yl)ethanol?
(1S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(furan-2-yl)ethanol has a molecular weight of 354.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 34514470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).