1-(4-benzoylphenyl)-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one

C24H22O4S — CID 141452224

IUPAC1-(4-benzoylphenyl)-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one
SMILESCc1ccc(S(=O)(=O)C(C)(C)C(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H22O4S/c1-17-9-15-21(16-10-17)29(27,28)24(2,3)23(26)20-13-11-19(12-14-20)22(25)18-7-5-4-6-8-18/h4-16H,1-3H3
InChIKeyQPNFQJUTMKELDS-UHFFFAOYSA-N
MW406.50 g/mol
LogP4.66
Rot. Bonds6

About 1-(4-benzoylphenyl)-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one

1-(4-benzoylphenyl)-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one (PubChem CID 141452224) has the molecular formula C24H22O4S and a molecular weight of 406.50 g/mol. Its IUPAC name is 1-(4-benzoylphenyl)-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one.

Molecular Properties

Compound Name1-(4-benzoylphenyl)-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one
PubChem CID141452224
Molecular FormulaC24H22O4S
Molecular Weight406.50 g/mol
Exact Mass406.12
IUPAC Name1-(4-benzoylphenyl)-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one
SMILESCc1ccc(S(=O)(=O)C(C)(C)C(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H22O4S/c1-17-9-15-21(16-10-17)29(27,28)24(2,3)23(26)20-13-11-19(12-14-20)22(25)18-7-5-4-6-8-18/h4-16H,1-3H3
InChIKeyQPNFQJUTMKELDS-UHFFFAOYSA-N
XLogP4.66
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(4-methylphenyl)sulfonyl-1-phenylpropan-1-one
CID 13445258
1-[4-[4-(4-hydroxybenzoyl)phenyl]sulfanylphenyl]-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one
CID 58203170
2-methyl-2-(4-methylphenyl)sulfonyl-1-[4-[4-(4-sulfanylbenzoyl)phenyl]sulfanylphenyl]propan-1-one
CID 58203140
2-methyl-2-(4-methylphenyl)sulfonyl-1-[4-[4-(2,4,6-trimethylbenzoyl)phenyl]sulfanylphenyl]propan-1-one
CID 139926016
2-bromo-2-iodo-2-(4-methylphenyl)sulfonyl-1-phenylethanone
CID 86259619
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
2-methyl-2-(4-methylphenyl)sulfonyl-1-[4-[4-(4-morpholin-4-ylbenzoyl)phenyl]sulfanylphenyl]propan-1-one
CID 58203111
phenyl-[4-(trichloromethylsulfonyl)phenyl]methanone
CID 20582687
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
2-methyl-2-(4-methylphenyl)sulfonyl-1-(2-methylsulfanylphenyl)propan-1-one
CID 122699856
boric acid;2,3-dimethylbutane-2,3-diol;(4-methylphenyl)-phenylmethanone
CID 175517764
benzoic acid;4-methylbenzoic acid
CID 71272637

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylphenyl)-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one?
The IUPAC name of 1-(4-benzoylphenyl)-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one (CID 141452224) is 1-(4-benzoylphenyl)-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one.
What is the SMILES notation for 1-(4-benzoylphenyl)-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one?
The canonical SMILES for 1-(4-benzoylphenyl)-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one is Cc1ccc(S(=O)(=O)C(C)(C)C(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4-benzoylphenyl)-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one?
The InChIKey is QPNFQJUTMKELDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4S/c1-17-9-15-21(16-10-17)29(27,28)24(2,3)23(26)20-13-11-19(12-14-20)22(25)18-7-5-4-6-8-18/h4-16H,1-3H3.
What are the key properties of 1-(4-benzoylphenyl)-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one?
1-(4-benzoylphenyl)-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one has a molecular weight of 406.50 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylphenyl)-2-methyl-2-(4-methylphenyl)sulfonylpropan-1-one is sourced from PubChem (CID 141452224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).