3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide

C18H19ClN2O3S — CID 16927292

IUPAC3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
SMILESCCCN1C(=O)CCc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc21
InChIInChI=1S/C18H19ClN2O3S/c1-2-10-21-17-8-7-15(11-13(17)6-9-18(21)22)20-25(23,24)16-5-3-4-14(19)12-16/h3-5,7-8,11-12,20H,2,6,9-10H2,1H3
InChIKeyRPPNLSLTSBMLTF-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.83
Rot. Bonds5

About 3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide

3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide (PubChem CID 16927292) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
PubChem CID16927292
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
SMILESCCCN1C(=O)CCc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc21
InChIInChI=1S/C18H19ClN2O3S/c1-2-10-21-17-8-7-15(11-13(17)6-9-18(21)22)20-25(23,24)16-5-3-4-14(19)12-16/h3-5,7-8,11-12,20H,2,6,9-10H2,1H3
InChIKeyRPPNLSLTSBMLTF-UHFFFAOYSA-N
XLogP3.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 167951208
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide
CID 16927465
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propylbenzenesulfonamide
CID 20933642
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide
CID 16927341
2-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927295
1-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide
CID 16927317
N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-methylbenzenesulfonamide
CID 30532671
N-(3-chlorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383219
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-methylbenzenesulfonamide
CID 16927387
4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927461
3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16820986
3-methyl-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927553

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide (CID 16927292) is 3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide is CCCN1C(=O)CCc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc21.
What is the InChIKey of 3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
The InChIKey is RPPNLSLTSBMLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-2-10-21-17-8-7-15(11-13(17)6-9-18(21)22)20-25(23,24)16-5-3-4-14(19)12-16/h3-5,7-8,11-12,20H,2,6,9-10H2,1H3.
What are the key properties of 3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide has a molecular weight of 378.88 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 16927292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).