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

C10H11BrN2O3S — CID 40889588

IUPAC1-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methanesulfonamide
SMILESO=C1CCc2cc(NS(=O)(=O)CBr)ccc2N1
InChIInChI=1S/C10H11BrN2O3S/c11-6-17(15,16)13-8-2-3-9-7(5-8)1-4-10(14)12-9/h2-3,5,13H,1,4,6H2,(H,12,14)
InChIKeySIJDTWWMVZVOSH-UHFFFAOYSA-N
MW319.18 g/mol
LogP1.67
Rot. Bonds3

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

1-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methanesulfonamide (PubChem CID 40889588) has the molecular formula C10H11BrN2O3S and a molecular weight of 319.18 g/mol. Its IUPAC name is 1-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methanesulfonamide
PubChem CID40889588
Molecular FormulaC10H11BrN2O3S
Molecular Weight319.18 g/mol
Exact Mass317.97
IUPAC Name1-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methanesulfonamide
SMILESO=C1CCc2cc(NS(=O)(=O)CBr)ccc2N1
InChIInChI=1S/C10H11BrN2O3S/c11-6-17(15,16)13-8-2-3-9-7(5-8)1-4-10(14)12-9/h2-3,5,13H,1,4,6H2,(H,12,14)
InChIKeySIJDTWWMVZVOSH-UHFFFAOYSA-N
XLogP1.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonamide
CID 107651248
4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
CID 20933627
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052
2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
CID 20933631
6-(1-methylsulfonylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 64629940
6-(cyclopropylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43738023
N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907
6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037
6-(3-methylbutan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737992
N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 127279830
6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737958
6-(cyclopentylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 62071402

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methanesulfonamide (CID 40889588) is 1-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methanesulfonamide is O=C1CCc2cc(NS(=O)(=O)CBr)ccc2N1.
What is the InChIKey of 1-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methanesulfonamide?
The InChIKey is SIJDTWWMVZVOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3S/c11-6-17(15,16)13-8-2-3-9-7(5-8)1-4-10(14)12-9/h2-3,5,13H,1,4,6H2,(H,12,14).
What are the key properties of 1-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methanesulfonamide?
1-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methanesulfonamide has a molecular weight of 319.18 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methanesulfonamide is sourced from PubChem (CID 40889588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).