1-[3-[(3-fluorophenyl)sulfonylmethyl]-4-hydroxyphenyl]ethanone

C15H13FO4S — CID 106584672

IUPAC1-[3-[(3-fluorophenyl)sulfonylmethyl]-4-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(O)c(CS(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C15H13FO4S/c1-10(17)11-5-6-15(18)12(7-11)9-21(19,20)14-4-2-3-13(16)8-14/h2-8,18H,9H2,1H3
InChIKeyHZBCTQXLKLYDSB-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.71
Rot. Bonds4

About 1-[3-[(3-fluorophenyl)sulfonylmethyl]-4-hydroxyphenyl]ethanone

1-[3-[(3-fluorophenyl)sulfonylmethyl]-4-hydroxyphenyl]ethanone (PubChem CID 106584672) has the molecular formula C15H13FO4S and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-[3-[(3-fluorophenyl)sulfonylmethyl]-4-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(3-fluorophenyl)sulfonylmethyl]-4-hydroxyphenyl]ethanone
PubChem CID106584672
Molecular FormulaC15H13FO4S
Molecular Weight308.33 g/mol
Exact Mass308.05
IUPAC Name1-[3-[(3-fluorophenyl)sulfonylmethyl]-4-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(O)c(CS(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C15H13FO4S/c1-10(17)11-5-6-15(18)12(7-11)9-21(19,20)14-4-2-3-13(16)8-14/h2-8,18H,9H2,1H3
InChIKeyHZBCTQXLKLYDSB-UHFFFAOYSA-N
XLogP2.71
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(4-fluorophenyl)sulfonylmethyl]-4-hydroxyphenyl]ethanone
CID 106584649
3-bromo-4-[(3-fluorophenyl)sulfonylmethyl]benzoic acid
CID 102766383
methyl 2-[(3-fluorophenyl)sulfonylmethyl]benzoate
CID 82957935
2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone
CID 106584676
1-[4-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]phenyl]ethanone
CID 43788355
[4-[(3-fluorophenyl)sulfonylmethyl]-3-methylphenyl]methanamine
CID 114486173
1-[4-[2-[[4-acetyl-2-(benzenesulfonylmethyl)phenoxy]methyl]prop-2-enoxy]-3-(benzenesulfonylmethyl)phenyl]ethanone
CID 11239076
4-bromo-2-chloro-1-[(3-fluorophenyl)sulfonylmethyl]benzene
CID 115684180
2-[(3-bromophenyl)sulfonylmethyl]-4-chlorophenol
CID 167696013
1-fluoro-3-(iodomethylsulfonyl)benzene
CID 163495375
4-ethyl-6-(3-fluorophenyl)sulfonylhexan-2-one
CID 59068746
4-acetyl-2-[(2,4-difluorophenyl)sulfonylmethyl]-1-(sulfinoamino)benzene
CID 57298834

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-fluorophenyl)sulfonylmethyl]-4-hydroxyphenyl]ethanone?
The IUPAC name of 1-[3-[(3-fluorophenyl)sulfonylmethyl]-4-hydroxyphenyl]ethanone (CID 106584672) is 1-[3-[(3-fluorophenyl)sulfonylmethyl]-4-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[(3-fluorophenyl)sulfonylmethyl]-4-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[3-[(3-fluorophenyl)sulfonylmethyl]-4-hydroxyphenyl]ethanone is CC(=O)c1ccc(O)c(CS(=O)(=O)c2cccc(F)c2)c1.
What is the InChIKey of 1-[3-[(3-fluorophenyl)sulfonylmethyl]-4-hydroxyphenyl]ethanone?
The InChIKey is HZBCTQXLKLYDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4S/c1-10(17)11-5-6-15(18)12(7-11)9-21(19,20)14-4-2-3-13(16)8-14/h2-8,18H,9H2,1H3.
What are the key properties of 1-[3-[(3-fluorophenyl)sulfonylmethyl]-4-hydroxyphenyl]ethanone?
1-[3-[(3-fluorophenyl)sulfonylmethyl]-4-hydroxyphenyl]ethanone has a molecular weight of 308.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-fluorophenyl)sulfonylmethyl]-4-hydroxyphenyl]ethanone is sourced from PubChem (CID 106584672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).