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

C19H21BrN2O3S — CID 16927461

IUPAC4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
SMILESCCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21
InChIInChI=1S/C19H21BrN2O3S/c1-2-3-12-22-18-10-7-16(13-14(18)4-11-19(22)23)21-26(24,25)17-8-5-15(20)6-9-17/h5-10,13,21H,2-4,11-12H2,1H3
InChIKeyINSZNDWNMJKBRT-UHFFFAOYSA-N
MW437.36 g/mol
LogP4.33
Rot. Bonds6

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

4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide (PubChem CID 16927461) has the molecular formula C19H21BrN2O3S and a molecular weight of 437.36 g/mol. Its IUPAC name is 4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
PubChem CID16927461
Molecular FormulaC19H21BrN2O3S
Molecular Weight437.36 g/mol
Exact Mass436.05
IUPAC Name4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
SMILESCCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21
InChIInChI=1S/C19H21BrN2O3S/c1-2-3-12-22-18-10-7-16(13-14(18)4-11-19(22)23)21-26(24,25)17-8-5-15(20)6-9-17/h5-10,13,21H,2-4,11-12H2,1H3
InChIKeyINSZNDWNMJKBRT-UHFFFAOYSA-N
XLogP4.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide
CID 16927509
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
3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927292
N-[4-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)sulfamoyl]phenyl]butanamide
CID 20933594
N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 71842864
3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 167951208
4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927551
N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide
CID 71842856

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide (CID 16927461) is 4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide is CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21.
What is the InChIKey of 4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
The InChIKey is INSZNDWNMJKBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3S/c1-2-3-12-22-18-10-7-16(13-14(18)4-11-19(22)23)21-26(24,25)17-8-5-15(20)6-9-17/h5-10,13,21H,2-4,11-12H2,1H3.
What are the key properties of 4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide?
4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide has a molecular weight of 437.36 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 16927461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).