1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone

C16H15BrO2S — CID 64637079

IUPAC1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
SMILESCc1ccc(C)c(S(=O)CC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H15BrO2S/c1-11-3-4-12(2)16(9-11)20(19)10-15(18)13-5-7-14(17)8-6-13/h3-9H,10H2,1-2H3
InChIKeyGBNZBIPPNYZWST-UHFFFAOYSA-N
MW351.27 g/mol
LogP4.06
Rot. Bonds4

About 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone

1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone (PubChem CID 64637079) has the molecular formula C16H15BrO2S and a molecular weight of 351.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
PubChem CID64637079
Molecular FormulaC16H15BrO2S
Molecular Weight351.27 g/mol
Exact Mass350.00
IUPAC Name1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
SMILESCc1ccc(C)c(S(=O)CC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H15BrO2S/c1-11-3-4-12(2)16(9-11)20(19)10-15(18)13-5-7-14(17)8-6-13/h3-9H,10H2,1-2H3
InChIKeyGBNZBIPPNYZWST-UHFFFAOYSA-N
XLogP4.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64638337
2-(2,5-dimethylphenyl)sulfinyl-1-(3-methylphenyl)ethanone
CID 64637434
1-(3,4-difluorophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
CID 64637430
1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylpropan-1-one
CID 64637250
1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637447
2-(2,5-dimethylphenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 64637254
2-(2,5-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64637243
2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone
CID 64637062
1-(4-bromophenyl)-3-(2,4-dimethylanilino)propan-1-one
CID 100817184
1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64639745
2-(2,5-dimethylphenyl)sulfinyl-1-(oxolan-3-yl)ethanone
CID 104756231
1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone
CID 12909509

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone (CID 64637079) is 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone is Cc1ccc(C)c(S(=O)CC(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone?
The InChIKey is GBNZBIPPNYZWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2S/c1-11-3-4-12(2)16(9-11)20(19)10-15(18)13-5-7-14(17)8-6-13/h3-9H,10H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone?
1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone has a molecular weight of 351.27 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone is sourced from PubChem (CID 64637079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).