2-(benzenesulfinyl)-1-(2,4-dichlorophenyl)propan-1-one

C15H12Cl2O2S — CID 64637609

IUPAC2-(benzenesulfinyl)-1-(2,4-dichlorophenyl)propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1Cl)S(=O)c1ccccc1
InChIInChI=1S/C15H12Cl2O2S/c1-10(20(19)12-5-3-2-4-6-12)15(18)13-8-7-11(16)9-14(13)17/h2-10H,1H3
InChIKeyVGVCURLXWYYSAV-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.37
Rot. Bonds4

About 2-(benzenesulfinyl)-1-(2,4-dichlorophenyl)propan-1-one

2-(benzenesulfinyl)-1-(2,4-dichlorophenyl)propan-1-one (PubChem CID 64637609) has the molecular formula C15H12Cl2O2S and a molecular weight of 327.23 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-1-(2,4-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(benzenesulfinyl)-1-(2,4-dichlorophenyl)propan-1-one
PubChem CID64637609
Molecular FormulaC15H12Cl2O2S
Molecular Weight327.23 g/mol
Exact Mass325.99
IUPAC Name2-(benzenesulfinyl)-1-(2,4-dichlorophenyl)propan-1-one
SMILESCC(C(=O)c1ccc(Cl)cc1Cl)S(=O)c1ccccc1
InChIInChI=1S/C15H12Cl2O2S/c1-10(20(19)12-5-3-2-4-6-12)15(18)13-8-7-11(16)9-14(13)17/h2-10H,1H3
InChIKeyVGVCURLXWYYSAV-UHFFFAOYSA-N
XLogP4.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
1-(2,4-dichlorophenyl)-2-ethylsulfinylpropan-1-one
CID 64639669
2-chloro-1-(2,4-dichlorophenyl)-2-phenylethanone
CID 81236882
1-(2,4-dichlorophenyl)-2-hydroxy-3-methylbutan-1-one
CID 130517010
2-bromo-1-(2,4-dichlorophenyl)-2-phenylethanone
CID 87217528
(2R)-2-(benzenesulfinyl)propanoic acid
CID 100915860
2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63565663
1-(2,4-dichlorophenyl)-2-(oxan-4-ylsulfinyl)propan-1-one
CID 64641187
2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one
CID 130136731
2-(benzenesulfinyl)-3-methylbutanoic acid
CID 61304717
2-(4-chlorophenyl)sulfinyl-3-methylbutanoic acid
CID 61303324
1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one
CID 107659489

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-1-(2,4-dichlorophenyl)propan-1-one?
The IUPAC name of 2-(benzenesulfinyl)-1-(2,4-dichlorophenyl)propan-1-one (CID 64637609) is 2-(benzenesulfinyl)-1-(2,4-dichlorophenyl)propan-1-one.
What is the SMILES notation for 2-(benzenesulfinyl)-1-(2,4-dichlorophenyl)propan-1-one?
The canonical SMILES for 2-(benzenesulfinyl)-1-(2,4-dichlorophenyl)propan-1-one is CC(C(=O)c1ccc(Cl)cc1Cl)S(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfinyl)-1-(2,4-dichlorophenyl)propan-1-one?
The InChIKey is VGVCURLXWYYSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2S/c1-10(20(19)12-5-3-2-4-6-12)15(18)13-8-7-11(16)9-14(13)17/h2-10H,1H3.
What are the key properties of 2-(benzenesulfinyl)-1-(2,4-dichlorophenyl)propan-1-one?
2-(benzenesulfinyl)-1-(2,4-dichlorophenyl)propan-1-one has a molecular weight of 327.23 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-1-(2,4-dichlorophenyl)propan-1-one is sourced from PubChem (CID 64637609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).