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

C16H14N2O3S — CID 131985884

IUPACN-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCn1c(=O)ccc2cc(NS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C16H14N2O3S/c1-18-15-9-8-13(11-12(15)7-10-16(18)19)17-22(20,21)14-5-3-2-4-6-14/h2-11,17H,1H3
InChIKeyMREZOHBMPINXNX-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.34
Rot. Bonds3

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

N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide (PubChem CID 131985884) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
PubChem CID131985884
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCn1c(=O)ccc2cc(NS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C16H14N2O3S/c1-18-15-9-8-13(11-12(15)7-10-16(18)19)17-22(20,21)14-5-3-2-4-6-14/h2-11,17H,1H3
InChIKeyMREZOHBMPINXNX-UHFFFAOYSA-N
XLogP2.34
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.34
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)benzenesulfonamide?
The IUPAC name of N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide (CID 131985884) is N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide is Cn1c(=O)ccc2cc(NS(=O)(=O)c3ccccc3)ccc21.
What is the InChIKey of N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The InChIKey is MREZOHBMPINXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-18-15-9-8-13(11-12(15)7-10-16(18)19)17-22(20,21)14-5-3-2-4-6-14/h2-11,17H,1H3.
What are the key properties of N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide has a molecular weight of 314.37 g/mol, XLogP of 2.34, 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)benzenesulfonamide is sourced from PubChem (CID 131985884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).