4-oxo-N-propyl-2,3-dihydroquinoline-1-sulfonamide

C12H16N2O3S — CID 110612614

IUPAC4-oxo-N-propyl-2,3-dihydroquinoline-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCC(=O)c2ccccc21
InChIInChI=1S/C12H16N2O3S/c1-2-8-13-18(16,17)14-9-7-12(15)10-5-3-4-6-11(10)14/h3-6,13H,2,7-9H2,1H3
InChIKeyPMJVFPDSSQWIEP-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.32
Rot. Bonds4

About 4-oxo-N-propyl-2,3-dihydroquinoline-1-sulfonamide

4-oxo-N-propyl-2,3-dihydroquinoline-1-sulfonamide (PubChem CID 110612614) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-oxo-N-propyl-2,3-dihydroquinoline-1-sulfonamide.

Molecular Properties

Compound Name4-oxo-N-propyl-2,3-dihydroquinoline-1-sulfonamide
PubChem CID110612614
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name4-oxo-N-propyl-2,3-dihydroquinoline-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCC(=O)c2ccccc21
InChIInChI=1S/C12H16N2O3S/c1-2-8-13-18(16,17)14-9-7-12(15)10-5-3-4-6-11(10)14/h3-6,13H,2,7-9H2,1H3
InChIKeyPMJVFPDSSQWIEP-UHFFFAOYSA-N
XLogP1.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4Z)-4-hydroxyimino-N-propyl-2,3-dihydroquinoline-1-sulfonamide
CID 114809007
N-cyclopentyl-4-oxo-2,3-dihydroquinoline-1-sulfonamide
CID 110612616
1-butylsulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336701
N,N-diethyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114336702
N-cyclopropyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114808679
2-[2-[(4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]ethyl]isoindole-1,3-dione
CID 110424774
7-amino-N-propyl-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 114804730
5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide
CID 102661387
1-(2,4-dimethylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110604092
2-(1,3-dioxoisoindol-2-yl)-N-propylbenzenesulfonamide
CID 168517046
1-(4-oxo-2,3-dihydroquinolin-1-yl)-2,3-dihydroquinolin-4-one
CID 66967300
5-oxo-3,4-dihydro-2H-1-benzazepine-1-sulfonamide
CID 114959228

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-propyl-2,3-dihydroquinoline-1-sulfonamide?
The IUPAC name of 4-oxo-N-propyl-2,3-dihydroquinoline-1-sulfonamide (CID 110612614) is 4-oxo-N-propyl-2,3-dihydroquinoline-1-sulfonamide.
What is the SMILES notation for 4-oxo-N-propyl-2,3-dihydroquinoline-1-sulfonamide?
The canonical SMILES for 4-oxo-N-propyl-2,3-dihydroquinoline-1-sulfonamide is CCCNS(=O)(=O)N1CCC(=O)c2ccccc21.
What is the InChIKey of 4-oxo-N-propyl-2,3-dihydroquinoline-1-sulfonamide?
The InChIKey is PMJVFPDSSQWIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-2-8-13-18(16,17)14-9-7-12(15)10-5-3-4-6-11(10)14/h3-6,13H,2,7-9H2,1H3.
What are the key properties of 4-oxo-N-propyl-2,3-dihydroquinoline-1-sulfonamide?
4-oxo-N-propyl-2,3-dihydroquinoline-1-sulfonamide has a molecular weight of 268.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-propyl-2,3-dihydroquinoline-1-sulfonamide is sourced from PubChem (CID 110612614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).