2-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone

C14H20O3S — CID 64638048

IUPAC2-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone
SMILESCCCCS(=O)(=O)CC(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H20O3S/c1-4-5-8-18(16,17)10-14(15)13-7-6-11(2)9-12(13)3/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyDXRAQWIWAVZQBM-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.70
Rot. Bonds6

About 2-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone

2-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone (PubChem CID 64638048) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone
PubChem CID64638048
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name2-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone
SMILESCCCCS(=O)(=O)CC(=O)c1ccc(C)cc1C
InChIInChI=1S/C14H20O3S/c1-4-5-8-18(16,17)10-14(15)13-7-6-11(2)9-12(13)3/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyDXRAQWIWAVZQBM-UHFFFAOYSA-N
XLogP2.70
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-2-pentylsulfonylethanone
CID 107764438
2-tert-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone
CID 64642350
2-(butylamino)-1-(2,4-dimethylphenyl)ethanone
CID 82101652
1-(4-bromophenyl)-2-butylsulfonylethanone
CID 64636338
2-[butyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone
CID 43219658
1-(2,4-dimethylphenyl)decane-1,3-dione
CID 43321493
2-butylsulfonyl-1-(3,4-dichlorophenyl)ethanone
CID 64637858
1-(2,4-dimethylphenyl)-2-[pentyl(propan-2-yl)amino]ethanone
CID 63565930
1-(2,4-dimethylphenyl)-4-hydroxybutan-1-one
CID 82111942
1-(2,4-dimethylphenyl)butane-1,3-dione
CID 19917258
2-butylsulfonyl-1-(3-chlorophenyl)ethanone
CID 64635960
2-(2-methylsulfonylethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 64641613

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone (CID 64638048) is 2-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone is CCCCS(=O)(=O)CC(=O)c1ccc(C)cc1C.
What is the InChIKey of 2-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone?
The InChIKey is DXRAQWIWAVZQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3S/c1-4-5-8-18(16,17)10-14(15)13-7-6-11(2)9-12(13)3/h6-7,9H,4-5,8,10H2,1-3H3.
What are the key properties of 2-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone?
2-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone has a molecular weight of 268.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 64638048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).