N-(2-ethoxyethyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide

C15H20N2O4S — CID 6324334

IUPACN-(2-ethoxyethyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide
SMILESCCOCCNS(=O)(=O)c1cc(C)c2[nH]c(=O)cc(C)c2c1
InChIInChI=1S/C15H20N2O4S/c1-4-21-6-5-16-22(19,20)12-7-11(3)15-13(9-12)10(2)8-14(18)17-15/h7-9,16H,4-6H2,1-3H3,(H,17,18)
InChIKeyWLSGEJCAWCFGBN-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.46
Rot. Bonds6

About N-(2-ethoxyethyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide

N-(2-ethoxyethyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide (PubChem CID 6324334) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide
PubChem CID6324334
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN-(2-ethoxyethyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide
SMILESCCOCCNS(=O)(=O)c1cc(C)c2[nH]c(=O)cc(C)c2c1
InChIInChI=1S/C15H20N2O4S/c1-4-21-6-5-16-22(19,20)12-7-11(3)15-13(9-12)10(2)8-14(18)17-15/h7-9,16H,4-6H2,1-3H3,(H,17,18)
InChIKeyWLSGEJCAWCFGBN-UHFFFAOYSA-N
XLogP1.46
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide (CID 6324334) is N-(2-ethoxyethyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide is CCOCCNS(=O)(=O)c1cc(C)c2[nH]c(=O)cc(C)c2c1.
What is the InChIKey of N-(2-ethoxyethyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide?
The InChIKey is WLSGEJCAWCFGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-4-21-6-5-16-22(19,20)12-7-11(3)15-13(9-12)10(2)8-14(18)17-15/h7-9,16H,4-6H2,1-3H3,(H,17,18).
What are the key properties of N-(2-ethoxyethyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide?
N-(2-ethoxyethyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide has a molecular weight of 324.40 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-4,8-dimethyl-2-oxo-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 6324334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).