N-(2-ethoxyphenyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-6-sulfonamide

C17H24N2O4S — CID 91819647

IUPACN-(2-ethoxyphenyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-6-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)C1CCC2NC(=O)CCC2C1
InChIInChI=1S/C17H24N2O4S/c1-2-23-16-6-4-3-5-15(16)19-24(21,22)13-8-9-14-12(11-13)7-10-17(20)18-14/h3-6,12-14,19H,2,7-11H2,1H3,(H,18,20)
InChIKeyHBJNIOCJWQHXFZ-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.27
Rot. Bonds5

About N-(2-ethoxyphenyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-6-sulfonamide

N-(2-ethoxyphenyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-6-sulfonamide (PubChem CID 91819647) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-6-sulfonamide
PubChem CID91819647
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-(2-ethoxyphenyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-6-sulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)C1CCC2NC(=O)CCC2C1
InChIInChI=1S/C17H24N2O4S/c1-2-23-16-6-4-3-5-15(16)19-24(21,22)13-8-9-14-12(11-13)7-10-17(20)18-14/h3-6,12-14,19H,2,7-11H2,1H3,(H,18,20)
InChIKeyHBJNIOCJWQHXFZ-UHFFFAOYSA-N
XLogP2.27
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-ethoxyphenyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-6-sulfonamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-6-sulfonamide (CID 91819647) is N-(2-ethoxyphenyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-6-sulfonamide is CCOc1ccccc1NS(=O)(=O)C1CCC2NC(=O)CCC2C1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-6-sulfonamide?
The InChIKey is HBJNIOCJWQHXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-2-23-16-6-4-3-5-15(16)19-24(21,22)13-8-9-14-12(11-13)7-10-17(20)18-14/h3-6,12-14,19H,2,7-11H2,1H3,(H,18,20).
What are the key properties of N-(2-ethoxyphenyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-6-sulfonamide?
N-(2-ethoxyphenyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-6-sulfonamide has a molecular weight of 352.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 91819647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).