4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide

C15H13BrN2O3S — CID 20933627

IUPAC4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
SMILESO=C1CCc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2N1
InChIInChI=1S/C15H13BrN2O3S/c16-11-2-5-13(6-3-11)22(20,21)18-12-4-7-14-10(9-12)1-8-15(19)17-14/h2-7,9,18H,1,8H2,(H,17,19)
InChIKeyXOWRGXWMCSFWCO-UHFFFAOYSA-N
MW381.25 g/mol
LogP3.13
Rot. Bonds3

About 4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide

4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide (PubChem CID 20933627) has the molecular formula C15H13BrN2O3S and a molecular weight of 381.25 g/mol. Its IUPAC name is 4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
PubChem CID20933627
Molecular FormulaC15H13BrN2O3S
Molecular Weight381.25 g/mol
Exact Mass379.98
IUPAC Name4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
SMILESO=C1CCc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2N1
InChIInChI=1S/C15H13BrN2O3S/c16-11-2-5-13(6-3-11)22(20,21)18-12-4-7-14-10(9-12)1-8-15(19)17-14/h2-7,9,18H,1,8H2,(H,17,19)
InChIKeyXOWRGXWMCSFWCO-UHFFFAOYSA-N
XLogP3.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907
N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 127279830
1-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methanesulfonamide
CID 40889588
4-fluoro-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 18570748
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 7586418
2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
CID 20933631
2-oxo-N-(3-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8519442
N-(3-ethynylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 18147069
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46966763
N-(2-oxo-1,3-dihydroindol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 20933336
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8844859
2-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonamide
CID 107651248

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide (CID 20933627) is 4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide is O=C1CCc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2N1.
What is the InChIKey of 4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide?
The InChIKey is XOWRGXWMCSFWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3S/c16-11-2-5-13(6-3-11)22(20,21)18-12-4-7-14-10(9-12)1-8-15(19)17-14/h2-7,9,18H,1,8H2,(H,17,19).
What are the key properties of 4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide?
4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide has a molecular weight of 381.25 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 20933627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).