1-[4-(3-fluoro-5-hydroxyphenyl)sulfonylpiperazin-1-yl]ethanone

C12H15FN2O4S — CID 154866656

IUPAC1-[4-(3-fluoro-5-hydroxyphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2cc(O)cc(F)c2)CC1
InChIInChI=1S/C12H15FN2O4S/c1-9(16)14-2-4-15(5-3-14)20(18,19)12-7-10(13)6-11(17)8-12/h6-8,17H,2-5H2,1H3
InChIKeyPEUGCHHYXOGPSP-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.38
Rot. Bonds2

About 1-[4-(3-fluoro-5-hydroxyphenyl)sulfonylpiperazin-1-yl]ethanone

1-[4-(3-fluoro-5-hydroxyphenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 154866656) has the molecular formula C12H15FN2O4S and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-[4-(3-fluoro-5-hydroxyphenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-fluoro-5-hydroxyphenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID154866656
Molecular FormulaC12H15FN2O4S
Molecular Weight302.33 g/mol
Exact Mass302.07
IUPAC Name1-[4-(3-fluoro-5-hydroxyphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2cc(O)cc(F)c2)CC1
InChIInChI=1S/C12H15FN2O4S/c1-9(16)14-2-4-15(5-3-14)20(18,19)12-7-10(13)6-11(17)8-12/h6-8,17H,2-5H2,1H3
InChIKeyPEUGCHHYXOGPSP-UHFFFAOYSA-N
XLogP0.38
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,5-dichlorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 3752352
1-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanone
CID 16645259
1-[4-(4-amino-2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 60984608
1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
CID 126770684
4-(4-acetylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 29034568
N-butan-2-yl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 46572180
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
1-(3,5-difluorophenyl)sulfonylpiperidin-4-one
CID 150339337
4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine
CID 121187243
4-(3-hydroxyphenyl)sulfonylpiperazine-1-carboxylic acid
CID 18473250
(E)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]but-2-en-1-one
CID 9369520
5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide
CID 46406583

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoro-5-hydroxyphenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-fluoro-5-hydroxyphenyl)sulfonylpiperazin-1-yl]ethanone (CID 154866656) is 1-[4-(3-fluoro-5-hydroxyphenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-fluoro-5-hydroxyphenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-fluoro-5-hydroxyphenyl)sulfonylpiperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2cc(O)cc(F)c2)CC1.
What is the InChIKey of 1-[4-(3-fluoro-5-hydroxyphenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is PEUGCHHYXOGPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4S/c1-9(16)14-2-4-15(5-3-14)20(18,19)12-7-10(13)6-11(17)8-12/h6-8,17H,2-5H2,1H3.
What are the key properties of 1-[4-(3-fluoro-5-hydroxyphenyl)sulfonylpiperazin-1-yl]ethanone?
1-[4-(3-fluoro-5-hydroxyphenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 302.33 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoro-5-hydroxyphenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 154866656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).