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

C18H19BrN2O3S — CID 16927295

IUPAC2-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
SMILESCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccccc3Br)ccc21
InChIInChI=1S/C18H19BrN2O3S/c1-2-11-21-16-9-8-14(12-13(16)7-10-18(21)22)20-25(23,24)17-6-4-3-5-15(17)19/h3-6,8-9,12,20H,2,7,10-11H2,1H3
InChIKeyHQXIGMYXNRSNEH-UHFFFAOYSA-N
MW423.33 g/mol
LogP3.94
Rot. Bonds5

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

2-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide (PubChem CID 16927295) has the molecular formula C18H19BrN2O3S and a molecular weight of 423.33 g/mol. Its IUPAC name is 2-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
PubChem CID16927295
Molecular FormulaC18H19BrN2O3S
Molecular Weight423.33 g/mol
Exact Mass422.03
IUPAC Name2-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
SMILESCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccccc3Br)ccc21
InChIInChI=1S/C18H19BrN2O3S/c1-2-11-21-16-9-8-14(12-13(16)7-10-18(21)22)20-25(23,24)17-6-4-3-5-15(17)19/h3-6,8-9,12,20H,2,7,10-11H2,1H3
InChIKeyHQXIGMYXNRSNEH-UHFFFAOYSA-N
XLogP3.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide
CID 16927317
3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927292
2,5-dimethoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16828141
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propylbenzenesulfonamide
CID 20933642
4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927461
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide
CID 16927341
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
2,4,5-trimethyl-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927637
2,2-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 16926756
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-methylthiophene-2-sulfonamide
CID 40889525
3,3-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)butanamide
CID 16926796

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide (CID 16927295) is 2-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide is CCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccccc3Br)ccc21.
What is the InChIKey of 2-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
The InChIKey is HQXIGMYXNRSNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3S/c1-2-11-21-16-9-8-14(12-13(16)7-10-18(21)22)20-25(23,24)17-6-4-3-5-15(17)19/h3-6,8-9,12,20H,2,7,10-11H2,1H3.
What are the key properties of 2-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
2-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide has a molecular weight of 423.33 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 16927295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).