1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone

C15H13ClO2S — CID 64639568

IUPAC1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone
SMILESCc1cccc(S(=O)CC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H13ClO2S/c1-11-3-2-4-14(9-11)19(18)10-15(17)12-5-7-13(16)8-6-12/h2-9H,10H2,1H3
InChIKeyZELYCGKDUYKKMZ-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.64
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone

1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone (PubChem CID 64639568) has the molecular formula C15H13ClO2S and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone
PubChem CID64639568
Molecular FormulaC15H13ClO2S
Molecular Weight292.79 g/mol
Exact Mass292.03
IUPAC Name1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone
SMILESCc1cccc(S(=O)CC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H13ClO2S/c1-11-3-2-4-14(9-11)19(18)10-15(17)12-5-7-13(16)8-6-12/h2-9H,10H2,1H3
InChIKeyZELYCGKDUYKKMZ-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

2-(3-methylphenyl)sulfinyl-1-phenylethanone
CID 64639967
2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone
CID 64638145
1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639371
2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone
CID 64638502
1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637447
1-(4-fluorophenyl)-3-(3-methylphenyl)sulfinylpropan-1-one
CID 64640763
2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone
CID 64635334
2-(4-chlorophenyl)sulfinyl-1-(4-hydroxy-3,5-dimethylphenyl)ethanone
CID 1483853
1-(4-chlorophenyl)-3-(3-methylanilino)propan-1-one
CID 94283002
2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone
CID 64636282
2-(3-bromophenyl)sulfinyl-1-(3-chlorophenyl)ethanone
CID 64636245
2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 64637762

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone (CID 64639568) is 1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone is Cc1cccc(S(=O)CC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone?
The InChIKey is ZELYCGKDUYKKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2S/c1-11-3-2-4-14(9-11)19(18)10-15(17)12-5-7-13(16)8-6-12/h2-9H,10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone?
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone 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 1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone is sourced from PubChem (CID 64639568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).