2-(3-chloro-4-fluorophenyl)sulfonyl-1-(3-chlorophenyl)ethanone

C14H9Cl2FO3S — CID 64635764

IUPAC2-(3-chloro-4-fluorophenyl)sulfonyl-1-(3-chlorophenyl)ethanone
SMILESO=C(CS(=O)(=O)c1ccc(F)c(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H9Cl2FO3S/c15-10-3-1-2-9(6-10)14(18)8-21(19,20)11-4-5-13(17)12(16)7-11/h1-7H,8H2
InChIKeyUAOIIYHPBYDBPG-UHFFFAOYSA-N
MW347.19 g/mol
LogP3.79
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)sulfonyl-1-(3-chlorophenyl)ethanone

2-(3-chloro-4-fluorophenyl)sulfonyl-1-(3-chlorophenyl)ethanone (PubChem CID 64635764) has the molecular formula C14H9Cl2FO3S and a molecular weight of 347.19 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfonyl-1-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfonyl-1-(3-chlorophenyl)ethanone
PubChem CID64635764
Molecular FormulaC14H9Cl2FO3S
Molecular Weight347.19 g/mol
Exact Mass345.96
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfonyl-1-(3-chlorophenyl)ethanone
SMILESO=C(CS(=O)(=O)c1ccc(F)c(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H9Cl2FO3S/c15-10-3-1-2-9(6-10)14(18)8-21(19,20)11-4-5-13(17)12(16)7-11/h1-7H,8H2
InChIKeyUAOIIYHPBYDBPG-UHFFFAOYSA-N
XLogP3.79
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-nitrophenyl)sulfonylethanone
CID 102115741
2-(3-chlorophenyl)-2-oxoethanesulfonic acid
CID 115040558
2-(3,4-difluorophenyl)sulfonyl-1-(3-methylphenyl)ethanone
CID 64643351
1-(3-chloro-4-fluorophenyl)-2-(2-chloro-4-nitrophenyl)sulfonylethanone
CID 10739240
2-(2-chloro-3-fluorophenyl)-1-(3-chlorophenyl)ethanone
CID 112653250
2-amino-3-(3-chloro-4-fluorophenyl)sulfonylpropanoic acid
CID 65443416
2-butylsulfonyl-1-(3-chlorophenyl)ethanone
CID 64635960
2-(benzenesulfonylmethyl)-1-(3-chlorophenyl)prop-2-en-1-one
CID 162497688
2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone
CID 55186206
2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone
CID 106584676
2-(3-bromophenyl)sulfonyl-1-phenylethanone
CID 64635813
2-(benzenesulfonyl)-1-(3-bromophenyl)ethanone
CID 62917038

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfonyl-1-(3-chlorophenyl)ethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfonyl-1-(3-chlorophenyl)ethanone (CID 64635764) is 2-(3-chloro-4-fluorophenyl)sulfonyl-1-(3-chlorophenyl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfonyl-1-(3-chlorophenyl)ethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfonyl-1-(3-chlorophenyl)ethanone is O=C(CS(=O)(=O)c1ccc(F)c(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfonyl-1-(3-chlorophenyl)ethanone?
The InChIKey is UAOIIYHPBYDBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO3S/c15-10-3-1-2-9(6-10)14(18)8-21(19,20)11-4-5-13(17)12(16)7-11/h1-7H,8H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfonyl-1-(3-chlorophenyl)ethanone?
2-(3-chloro-4-fluorophenyl)sulfonyl-1-(3-chlorophenyl)ethanone has a molecular weight of 347.19 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfonyl-1-(3-chlorophenyl)ethanone is sourced from PubChem (CID 64635764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).