N-(1-methyl-2-oxoquinolin-6-yl)ethanesulfonamide

C12H14N2O3S — CID 118918698

IUPACN-(1-methyl-2-oxoquinolin-6-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(ccc(=O)n2C)c1
InChIInChI=1S/C12H14N2O3S/c1-3-18(16,17)13-10-5-6-11-9(8-10)4-7-12(15)14(11)2/h4-8,13H,3H2,1-2H3
InChIKeyAMZCPMPZDCMGTF-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.30
Rot. Bonds3

About N-(1-methyl-2-oxoquinolin-6-yl)ethanesulfonamide

N-(1-methyl-2-oxoquinolin-6-yl)ethanesulfonamide (PubChem CID 118918698) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(1-methyl-2-oxoquinolin-6-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxoquinolin-6-yl)ethanesulfonamide
PubChem CID118918698
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-(1-methyl-2-oxoquinolin-6-yl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(ccc(=O)n2C)c1
InChIInChI=1S/C12H14N2O3S/c1-3-18(16,17)13-10-5-6-11-9(8-10)4-7-12(15)14(11)2/h4-8,13H,3H2,1-2H3
InChIKeyAMZCPMPZDCMGTF-UHFFFAOYSA-N
XLogP1.30
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.30
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)ethanesulfonamide?
The IUPAC name of N-(1-methyl-2-oxoquinolin-6-yl)ethanesulfonamide (CID 118918698) is N-(1-methyl-2-oxoquinolin-6-yl)ethanesulfonamide.
What is the SMILES notation for N-(1-methyl-2-oxoquinolin-6-yl)ethanesulfonamide?
The canonical SMILES for N-(1-methyl-2-oxoquinolin-6-yl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc2c(ccc(=O)n2C)c1.
What is the InChIKey of N-(1-methyl-2-oxoquinolin-6-yl)ethanesulfonamide?
The InChIKey is AMZCPMPZDCMGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-3-18(16,17)13-10-5-6-11-9(8-10)4-7-12(15)14(11)2/h4-8,13H,3H2,1-2H3.
What are the key properties of N-(1-methyl-2-oxoquinolin-6-yl)ethanesulfonamide?
N-(1-methyl-2-oxoquinolin-6-yl)ethanesulfonamide has a molecular weight of 266.32 g/mol, XLogP of 1.30, 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)ethanesulfonamide is sourced from PubChem (CID 118918698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).