8-chloro-N-(3-methoxypropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C13H17ClN2O4S — CID 171133307

IUPAC8-chloro-N-(3-methoxypropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCOCCCNS(=O)(=O)c1cc(Cl)c2c(c1)CCC(=O)N2
InChIInChI=1S/C13H17ClN2O4S/c1-20-6-2-5-15-21(18,19)10-7-9-3-4-12(17)16-13(9)11(14)8-10/h7-8,15H,2-6H2,1H3,(H,16,17)
InChIKeyQHRDTWOEBIVQEZ-UHFFFAOYSA-N
MW332.81 g/mol
LogP1.54
Rot. Bonds6

About 8-chloro-N-(3-methoxypropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

8-chloro-N-(3-methoxypropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 171133307) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is 8-chloro-N-(3-methoxypropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name8-chloro-N-(3-methoxypropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID171133307
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC Name8-chloro-N-(3-methoxypropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCOCCCNS(=O)(=O)c1cc(Cl)c2c(c1)CCC(=O)N2
InChIInChI=1S/C13H17ClN2O4S/c1-20-6-2-5-15-21(18,19)10-7-9-3-4-12(17)16-13(9)11(14)8-10/h7-8,15H,2-6H2,1H3,(H,16,17)
InChIKeyQHRDTWOEBIVQEZ-UHFFFAOYSA-N
XLogP1.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 51.54
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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Related Compounds

N-(3-methoxypropyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
CID 7527094
2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid
CID 113437739
3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 110758135
methyl 2-chloro-5-(3-methoxypropylsulfamoyl)benzoate
CID 100769716
4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 27245832
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
8-chloro-6-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 14268518
(3S)-N-(3-methoxypropyl)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 7526849
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
2-oxo-N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8843324
5-chloro-2-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110759335
N-(2-hydroxyethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 96667560

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(3-methoxypropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of 8-chloro-N-(3-methoxypropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 171133307) is 8-chloro-N-(3-methoxypropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 8-chloro-N-(3-methoxypropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for 8-chloro-N-(3-methoxypropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is COCCCNS(=O)(=O)c1cc(Cl)c2c(c1)CCC(=O)N2.
What is the InChIKey of 8-chloro-N-(3-methoxypropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is QHRDTWOEBIVQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-20-6-2-5-15-21(18,19)10-7-9-3-4-12(17)16-13(9)11(14)8-10/h7-8,15H,2-6H2,1H3,(H,16,17).
What are the key properties of 8-chloro-N-(3-methoxypropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
8-chloro-N-(3-methoxypropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 332.81 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(3-methoxypropyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 171133307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).