N-(1-methyl-2-oxoquinolin-3-yl)methanesulfonamide

C11H12N2O3S — CID 101432632

IUPACN-(1-methyl-2-oxoquinolin-3-yl)methanesulfonamide
SMILESCn1c(=O)c(NS(C)(=O)=O)cc2ccccc21
InChIInChI=1S/C11H12N2O3S/c1-13-10-6-4-3-5-8(10)7-9(11(13)14)12-17(2,15)16/h3-7,12H,1-2H3
InChIKeyHXELSLSIIRYMMW-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.91
Rot. Bonds2

About N-(1-methyl-2-oxoquinolin-3-yl)methanesulfonamide

N-(1-methyl-2-oxoquinolin-3-yl)methanesulfonamide (PubChem CID 101432632) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-(1-methyl-2-oxoquinolin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxoquinolin-3-yl)methanesulfonamide
PubChem CID101432632
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC NameN-(1-methyl-2-oxoquinolin-3-yl)methanesulfonamide
SMILESCn1c(=O)c(NS(C)(=O)=O)cc2ccccc21
InChIInChI=1S/C11H12N2O3S/c1-13-10-6-4-3-5-8(10)7-9(11(13)14)12-17(2,15)16/h3-7,12H,1-2H3
InChIKeyHXELSLSIIRYMMW-UHFFFAOYSA-N
XLogP0.91
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxoquinolin-3-yl)methanesulfonamide?
The IUPAC name of N-(1-methyl-2-oxoquinolin-3-yl)methanesulfonamide (CID 101432632) is N-(1-methyl-2-oxoquinolin-3-yl)methanesulfonamide.
What is the SMILES notation for N-(1-methyl-2-oxoquinolin-3-yl)methanesulfonamide?
The canonical SMILES for N-(1-methyl-2-oxoquinolin-3-yl)methanesulfonamide is Cn1c(=O)c(NS(C)(=O)=O)cc2ccccc21.
What is the InChIKey of N-(1-methyl-2-oxoquinolin-3-yl)methanesulfonamide?
The InChIKey is HXELSLSIIRYMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-13-10-6-4-3-5-8(10)7-9(11(13)14)12-17(2,15)16/h3-7,12H,1-2H3.
What are the key properties of N-(1-methyl-2-oxoquinolin-3-yl)methanesulfonamide?
N-(1-methyl-2-oxoquinolin-3-yl)methanesulfonamide has a molecular weight of 252.30 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxoquinolin-3-yl)methanesulfonamide is sourced from PubChem (CID 101432632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).