1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone

C16H15FO2S — CID 64637654

IUPAC1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone
SMILESCc1ccc(C(=O)CS(=O)c2ccccc2F)cc1C
InChIInChI=1S/C16H15FO2S/c1-11-7-8-13(9-12(11)2)15(18)10-20(19)16-6-4-3-5-14(16)17/h3-9H,10H2,1-2H3
InChIKeyWNZHPBNVQGDCMB-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.43
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone

1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone (PubChem CID 64637654) has the molecular formula C16H15FO2S and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone
PubChem CID64637654
Molecular FormulaC16H15FO2S
Molecular Weight290.36 g/mol
Exact Mass290.08
IUPAC Name1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone
SMILESCc1ccc(C(=O)CS(=O)c2ccccc2F)cc1C
InChIInChI=1S/C16H15FO2S/c1-11-7-8-13(9-12(11)2)15(18)10-20(19)16-6-4-3-5-14(16)17/h3-9H,10H2,1-2H3
InChIKeyWNZHPBNVQGDCMB-UHFFFAOYSA-N
XLogP3.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluorophenyl)sulfinyl-1-(2-methylphenyl)ethanone
CID 64637840
1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
CID 64637430
1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)propan-1-one
CID 94281167
2-(2-fluorophenyl)sulfinyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 64636678
2-(2-fluorophenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64636680
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide
CID 61302033
2-(2-bromophenyl)sulfinyl-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 64640312
2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
CID 64638938
4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide
CID 9375029
1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64638337
1-cyclopropyl-2-(2-fluorophenyl)sulfinylethanone
CID 64635571
1-[(2-fluorophenyl)sulfinylmethyl]-3,5-dimethylbenzene
CID 63791578

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone (CID 64637654) is 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone is Cc1ccc(C(=O)CS(=O)c2ccccc2F)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone?
The InChIKey is WNZHPBNVQGDCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2S/c1-11-7-8-13(9-12(11)2)15(18)10-20(19)16-6-4-3-5-14(16)17/h3-9H,10H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone?
1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone has a molecular weight of 290.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone is sourced from PubChem (CID 64637654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).