N-tert-butyl-2-oxo-1H-quinoline-6-sulfonamide

C13H16N2O3S — CID 46361427

IUPACN-tert-butyl-2-oxo-1H-quinoline-6-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C13H16N2O3S/c1-13(2,3)15-19(17,18)10-5-6-11-9(8-10)4-7-12(16)14-11/h4-8,15H,1-3H3,(H,14,16)
InChIKeyOETXLANRPPYGCN-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.60
Rot. Bonds2

About N-tert-butyl-2-oxo-1H-quinoline-6-sulfonamide

N-tert-butyl-2-oxo-1H-quinoline-6-sulfonamide (PubChem CID 46361427) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-tert-butyl-2-oxo-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-oxo-1H-quinoline-6-sulfonamide
PubChem CID46361427
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-tert-butyl-2-oxo-1H-quinoline-6-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C13H16N2O3S/c1-13(2,3)15-19(17,18)10-5-6-11-9(8-10)4-7-12(16)14-11/h4-8,15H,1-3H3,(H,14,16)
InChIKeyOETXLANRPPYGCN-UHFFFAOYSA-N
XLogP1.60
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-oxo-1H-quinoline-6-sulfonamide?
The IUPAC name of N-tert-butyl-2-oxo-1H-quinoline-6-sulfonamide (CID 46361427) is N-tert-butyl-2-oxo-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-tert-butyl-2-oxo-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-tert-butyl-2-oxo-1H-quinoline-6-sulfonamide is CC(C)(C)NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1.
What is the InChIKey of N-tert-butyl-2-oxo-1H-quinoline-6-sulfonamide?
The InChIKey is OETXLANRPPYGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-13(2,3)15-19(17,18)10-5-6-11-9(8-10)4-7-12(16)14-11/h4-8,15H,1-3H3,(H,14,16).
What are the key properties of N-tert-butyl-2-oxo-1H-quinoline-6-sulfonamide?
N-tert-butyl-2-oxo-1H-quinoline-6-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-oxo-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 46361427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).