(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(furan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanol
CID 34523338
(1R)-1-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 97039248
(1S)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(furan-2-yl)ethanol
CID 34523315
1-(4-chlorophenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 134018579
1-(furan-2-yl)-2-pyrrolidin-1-ylethanol
CID 55212016
2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol;dihydrochloride
CID 71783363
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 78782687
1-(2,5-dichlorophenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 55832725
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2998945
(1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248169
2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol
CID 71683705
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073

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).