3-(benzenesulfonylmethyl)-1-methylquinolin-2-one

C17H15NO3S — CID 18801719

IUPAC3-(benzenesulfonylmethyl)-1-methylquinolin-2-one
SMILESCn1c(=O)c(CS(=O)(=O)c2ccccc2)cc2ccccc21
InChIInChI=1S/C17H15NO3S/c1-18-16-10-6-5-7-13(16)11-14(17(18)19)12-22(20,21)15-8-3-2-4-9-15/h2-11H,12H2,1H3
InChIKeyQUFCBCUTGPKSJZ-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.51
Rot. Bonds3

About 3-(benzenesulfonylmethyl)-1-methylquinolin-2-one

3-(benzenesulfonylmethyl)-1-methylquinolin-2-one (PubChem CID 18801719) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-1-methylquinolin-2-one
PubChem CID18801719
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name3-(benzenesulfonylmethyl)-1-methylquinolin-2-one
SMILESCn1c(=O)c(CS(=O)(=O)c2ccccc2)cc2ccccc21
InChIInChI=1S/C17H15NO3S/c1-18-16-10-6-5-7-13(16)11-14(17(18)19)12-22(20,21)15-8-3-2-4-9-15/h2-11H,12H2,1H3
InChIKeyQUFCBCUTGPKSJZ-UHFFFAOYSA-N
XLogP2.51
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-1-methylquinolin-2-one?
The IUPAC name of 3-(benzenesulfonylmethyl)-1-methylquinolin-2-one (CID 18801719) is 3-(benzenesulfonylmethyl)-1-methylquinolin-2-one.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-1-methylquinolin-2-one?
The canonical SMILES for 3-(benzenesulfonylmethyl)-1-methylquinolin-2-one is Cn1c(=O)c(CS(=O)(=O)c2ccccc2)cc2ccccc21.
What is the InChIKey of 3-(benzenesulfonylmethyl)-1-methylquinolin-2-one?
The InChIKey is QUFCBCUTGPKSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-18-16-10-6-5-7-13(16)11-14(17(18)19)12-22(20,21)15-8-3-2-4-9-15/h2-11H,12H2,1H3.
What are the key properties of 3-(benzenesulfonylmethyl)-1-methylquinolin-2-one?
3-(benzenesulfonylmethyl)-1-methylquinolin-2-one has a molecular weight of 313.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-1-methylquinolin-2-one is sourced from PubChem (CID 18801719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).