2-(2-methylphenyl)sulfonyl-1-phenylethanone

C15H14O3S — CID 53400632

IUPAC2-(2-methylphenyl)sulfonyl-1-phenylethanone
SMILESCc1ccccc1S(=O)(=O)CC(=O)c1ccccc1
InChIInChI=1S/C15H14O3S/c1-12-7-5-6-10-15(12)19(17,18)11-14(16)13-8-3-2-4-9-13/h2-10H,11H2,1H3
InChIKeyVTOZLLITCCRTTR-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.65
Rot. Bonds4

About 2-(2-methylphenyl)sulfonyl-1-phenylethanone

2-(2-methylphenyl)sulfonyl-1-phenylethanone (PubChem CID 53400632) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfonyl-1-phenylethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfonyl-1-phenylethanone
PubChem CID53400632
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name2-(2-methylphenyl)sulfonyl-1-phenylethanone
SMILESCc1ccccc1S(=O)(=O)CC(=O)c1ccccc1
InChIInChI=1S/C15H14O3S/c1-12-7-5-6-10-15(12)19(17,18)11-14(16)13-8-3-2-4-9-13/h2-10H,11H2,1H3
InChIKeyVTOZLLITCCRTTR-UHFFFAOYSA-N
XLogP2.65
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-phenacylsulfonylnaphthalen-1-yl)sulfonyl-1-phenylethanone
CID 1116105
2-(2-methylphenyl)sulfonylacetamide
CID 47361891
ethyl 2-(2-methylphenyl)sulfonylacetate
CID 60891426
2-ethylsulfonyl-1-phenylethanone
CID 19033550
1-(4-fluorophenyl)-3-(2-methylphenyl)sulfonylpropan-1-one
CID 64635414
2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone
CID 64637156
2-[2-[(2-methylphenyl)sulfonylmethyl]phenyl]acetic acid
CID 115461297
2-(benzenesulfonyl)-1-phenylethanone;fluoroform
CID 175573425
benzoic acid;2-methylbenzenesulfonyl chloride
CID 88766670
2-oxo-2-phenylethanesulfonamide
CID 13398961
3-(2,5-dimethylphenyl)sulfonyl-1-phenylpropan-1-one
CID 116694859
2-[4-[(4-phenacylsulfonylphenyl)methyl]phenyl]sulfonyl-1-phenylethanone
CID 4607170

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfonyl-1-phenylethanone?
The IUPAC name of 2-(2-methylphenyl)sulfonyl-1-phenylethanone (CID 53400632) is 2-(2-methylphenyl)sulfonyl-1-phenylethanone.
What is the SMILES notation for 2-(2-methylphenyl)sulfonyl-1-phenylethanone?
The canonical SMILES for 2-(2-methylphenyl)sulfonyl-1-phenylethanone is Cc1ccccc1S(=O)(=O)CC(=O)c1ccccc1.
What is the InChIKey of 2-(2-methylphenyl)sulfonyl-1-phenylethanone?
The InChIKey is VTOZLLITCCRTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-12-7-5-6-10-15(12)19(17,18)11-14(16)13-8-3-2-4-9-13/h2-10H,11H2,1H3.
What are the key properties of 2-(2-methylphenyl)sulfonyl-1-phenylethanone?
2-(2-methylphenyl)sulfonyl-1-phenylethanone has a molecular weight of 274.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfonyl-1-phenylethanone is sourced from PubChem (CID 53400632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).