2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone

C16H15ClO2S — CID 64635334

IUPAC2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)CS(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C16H15ClO2S/c1-11-3-8-15(12(2)9-11)16(18)10-20(19)14-6-4-13(17)5-7-14/h3-9H,10H2,1-2H3
InChIKeyNMVFSKWUBOLHCT-UHFFFAOYSA-N
MW306.81 g/mol
LogP3.95
Rot. Bonds4

About 2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone

2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone (PubChem CID 64635334) has the molecular formula C16H15ClO2S and a molecular weight of 306.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone
PubChem CID64635334
Molecular FormulaC16H15ClO2S
Molecular Weight306.81 g/mol
Exact Mass306.05
IUPAC Name2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)CS(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C16H15ClO2S/c1-11-3-8-15(12(2)9-11)16(18)10-20(19)14-6-4-13(17)5-7-14/h3-9H,10H2,1-2H3
InChIKeyNMVFSKWUBOLHCT-UHFFFAOYSA-N
XLogP3.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637447
1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanone
CID 12729207
2-(4-chlorophenyl)sulfinyl-1-(4-hydroxy-3,5-dimethylphenyl)ethanone
CID 1483853
1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64639745
2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethanone
CID 64639475
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639568
1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639371
1-(2,4-dimethylphenyl)-2-(2-methylpropylsulfinyl)ethanone
CID 64639917
2-[(4-chlorophenyl)methylamino]-1-(2,4-dimethylphenyl)ethanone
CID 82101686
2-[(S)-(4-chlorophenyl)sulfinyl]acetic acid
CID 13092891
2-(4-bromophenyl)sulfinyl-1-(2,5-dichlorophenyl)ethanone
CID 64641310
1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone
CID 64636296

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone (CID 64635334) is 2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone is Cc1ccc(C(=O)CS(=O)c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone?
The InChIKey is NMVFSKWUBOLHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2S/c1-11-3-8-15(12(2)9-11)16(18)10-20(19)14-6-4-13(17)5-7-14/h3-9H,10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone?
2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone has a molecular weight of 306.81 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfinyl-1-(2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 64635334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).