2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone

C15H13ClO2S — CID 64638145

IUPAC2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CS(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H13ClO2S/c1-11-5-7-12(8-6-11)15(17)10-19(18)14-4-2-3-13(16)9-14/h2-9H,10H2,1H3
InChIKeySVCSJWNZYKDMMY-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.64
Rot. Bonds4

About 2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone

2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone (PubChem CID 64638145) has the molecular formula C15H13ClO2S and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone
PubChem CID64638145
Molecular FormulaC15H13ClO2S
Molecular Weight292.79 g/mol
Exact Mass292.03
IUPAC Name2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CS(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H13ClO2S/c1-11-5-7-12(8-6-11)15(17)10-19(18)14-4-2-3-13(16)9-14/h2-9H,10H2,1H3
InChIKeySVCSJWNZYKDMMY-UHFFFAOYSA-N
XLogP3.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639568
2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone
CID 64636282
2-(3-methylphenyl)sulfinyl-1-phenylethanone
CID 64639967
2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 64637762
2-(3-bromophenyl)sulfinyl-1-(3-chlorophenyl)ethanone
CID 64636245
1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639371
2-(3-chlorophenyl)sulfinyl-1-(3-nitrophenyl)ethanone
CID 64635868
4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one
CID 64635675
propan-2-yl 2-(3-chlorophenyl)sulfinylacetate
CID 62647010
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone
CID 64639088
2-(3-chlorophenyl)sulfinyl-1-(5-ethylthiophen-2-yl)ethanone
CID 64636056
1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637447

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone (CID 64638145) is 2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CS(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone?
The InChIKey is SVCSJWNZYKDMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2S/c1-11-5-7-12(8-6-11)15(17)10-19(18)14-4-2-3-13(16)9-14/h2-9H,10H2,1H3.
What are the key properties of 2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone?
2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone has a molecular weight of 292.79 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 64638145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).