1-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylmethyl]-4-fluorophenyl]ethanone

C15H11Cl2FO4S — CID 157430543

IUPAC1-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylmethyl]-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)c(CS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C15H11Cl2FO4S/c1-8(19)9-2-3-13(18)10(4-9)7-23(21,22)14-6-11(16)5-12(17)15(14)20/h2-6,20H,7H2,1H3
InChIKeyBQMBQUALMUZPAA-UHFFFAOYSA-N
MW377.22 g/mol
LogP4.01
Rot. Bonds4

About 1-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylmethyl]-4-fluorophenyl]ethanone

1-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylmethyl]-4-fluorophenyl]ethanone (PubChem CID 157430543) has the molecular formula C15H11Cl2FO4S and a molecular weight of 377.22 g/mol. Its IUPAC name is 1-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylmethyl]-4-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylmethyl]-4-fluorophenyl]ethanone
PubChem CID157430543
Molecular FormulaC15H11Cl2FO4S
Molecular Weight377.22 g/mol
Exact Mass375.97
IUPAC Name1-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylmethyl]-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)c(CS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C15H11Cl2FO4S/c1-8(19)9-2-3-13(18)10(4-9)7-23(21,22)14-6-11(16)5-12(17)15(14)20/h2-6,20H,7H2,1H3
InChIKeyBQMBQUALMUZPAA-UHFFFAOYSA-N
XLogP4.01
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.22
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylmethyl]-4-fluorophenyl]ethanone?
The IUPAC name of 1-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylmethyl]-4-fluorophenyl]ethanone (CID 157430543) is 1-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylmethyl]-4-fluorophenyl]ethanone.
What is the SMILES notation for 1-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylmethyl]-4-fluorophenyl]ethanone?
The canonical SMILES for 1-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylmethyl]-4-fluorophenyl]ethanone is CC(=O)c1ccc(F)c(CS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1.
What is the InChIKey of 1-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylmethyl]-4-fluorophenyl]ethanone?
The InChIKey is BQMBQUALMUZPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO4S/c1-8(19)9-2-3-13(18)10(4-9)7-23(21,22)14-6-11(16)5-12(17)15(14)20/h2-6,20H,7H2,1H3.
What are the key properties of 1-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylmethyl]-4-fluorophenyl]ethanone?
1-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylmethyl]-4-fluorophenyl]ethanone has a molecular weight of 377.22 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylmethyl]-4-fluorophenyl]ethanone is sourced from PubChem (CID 157430543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).