N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C16H16N2O3S — CID 3648364

IUPACN-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H16N2O3S/c1-11-4-2-3-5-14(11)18-22(20,21)13-7-8-15-12(10-13)6-9-16(19)17-15/h2-5,7-8,10,18H,6,9H2,1H3,(H,17,19)
InChIKeyIRRZNGIKUYWLLJ-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.68
Rot. Bonds3

About N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 3648364) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID3648364
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C16H16N2O3S/c1-11-4-2-3-5-14(11)18-22(20,21)13-7-8-15-12(10-13)6-9-16(19)17-15/h2-5,7-8,10,18H,6,9H2,1H3,(H,17,19)
InChIKeyIRRZNGIKUYWLLJ-UHFFFAOYSA-N
XLogP2.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 3648364) is N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is IRRZNGIKUYWLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-11-4-2-3-5-14(11)18-22(20,21)13-7-8-15-12(10-13)6-9-16(19)17-15/h2-5,7-8,10,18H,6,9H2,1H3,(H,17,19).
What are the key properties of N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 3648364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).