2-(benzenesulfonyl)-1-phenylpropan-1-one

C15H14O3S — CID 2852164

IUPAC2-(benzenesulfonyl)-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14O3S/c1-12(15(16)13-8-4-2-5-9-13)19(17,18)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyLRPKMSDKSRIOQS-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.73
Rot. Bonds4

About 2-(benzenesulfonyl)-1-phenylpropan-1-one

2-(benzenesulfonyl)-1-phenylpropan-1-one (PubChem CID 2852164) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-phenylpropan-1-one
PubChem CID2852164
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name2-(benzenesulfonyl)-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14O3S/c1-12(15(16)13-8-4-2-5-9-13)19(17,18)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyLRPKMSDKSRIOQS-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-phenylpropan-1-one?
The IUPAC name of 2-(benzenesulfonyl)-1-phenylpropan-1-one (CID 2852164) is 2-(benzenesulfonyl)-1-phenylpropan-1-one.
What is the SMILES notation for 2-(benzenesulfonyl)-1-phenylpropan-1-one?
The canonical SMILES for 2-(benzenesulfonyl)-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-1-phenylpropan-1-one?
The InChIKey is LRPKMSDKSRIOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-12(15(16)13-8-4-2-5-9-13)19(17,18)14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of 2-(benzenesulfonyl)-1-phenylpropan-1-one?
2-(benzenesulfonyl)-1-phenylpropan-1-one has a molecular weight of 274.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-phenylpropan-1-one is sourced from PubChem (CID 2852164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).