N-(1-methyl-2-oxoquinolin-6-yl)propane-2-sulfonamide

C13H16N2O3S — CID 118918739

IUPACN-(1-methyl-2-oxoquinolin-6-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc2c(ccc(=O)n2C)c1
InChIInChI=1S/C13H16N2O3S/c1-9(2)19(17,18)14-11-5-6-12-10(8-11)4-7-13(16)15(12)3/h4-9,14H,1-3H3
InChIKeyJCEWXYAFHVHTBK-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.69
Rot. Bonds3

About N-(1-methyl-2-oxoquinolin-6-yl)propane-2-sulfonamide

N-(1-methyl-2-oxoquinolin-6-yl)propane-2-sulfonamide (PubChem CID 118918739) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(1-methyl-2-oxoquinolin-6-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxoquinolin-6-yl)propane-2-sulfonamide
PubChem CID118918739
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(1-methyl-2-oxoquinolin-6-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc2c(ccc(=O)n2C)c1
InChIInChI=1S/C13H16N2O3S/c1-9(2)19(17,18)14-11-5-6-12-10(8-11)4-7-13(16)15(12)3/h4-9,14H,1-3H3
InChIKeyJCEWXYAFHVHTBK-UHFFFAOYSA-N
XLogP1.69
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.69
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-6-yl)propane-2-sulfonamide?
The IUPAC name of N-(1-methyl-2-oxoquinolin-6-yl)propane-2-sulfonamide (CID 118918739) is N-(1-methyl-2-oxoquinolin-6-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(1-methyl-2-oxoquinolin-6-yl)propane-2-sulfonamide?
The canonical SMILES for N-(1-methyl-2-oxoquinolin-6-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccc2c(ccc(=O)n2C)c1.
What is the InChIKey of N-(1-methyl-2-oxoquinolin-6-yl)propane-2-sulfonamide?
The InChIKey is JCEWXYAFHVHTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-9(2)19(17,18)14-11-5-6-12-10(8-11)4-7-13(16)15(12)3/h4-9,14H,1-3H3.
What are the key properties of N-(1-methyl-2-oxoquinolin-6-yl)propane-2-sulfonamide?
N-(1-methyl-2-oxoquinolin-6-yl)propane-2-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.69, 3 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-6-yl)propane-2-sulfonamide is sourced from PubChem (CID 118918739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).