2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide

C13H15ClN2O3S — CID 43456723

IUPAC2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C13H15ClN2O3S/c1-9(8-19-2)16-20(17,18)11-4-5-12-10(7-11)3-6-13(14)15-12/h3-7,9,16H,8H2,1-2H3
InChIKeySVNUJPUWVYSNOJ-UHFFFAOYSA-N
MW314.79 g/mol
LogP2.20
Rot. Bonds5

About 2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide

2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide (PubChem CID 43456723) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is 2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide
PubChem CID43456723
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Name2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide
SMILESCOCC(C)NS(=O)(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C13H15ClN2O3S/c1-9(8-19-2)16-20(17,18)11-4-5-12-10(7-11)3-6-13(14)15-12/h3-7,9,16H,8H2,1-2H3
InChIKeySVNUJPUWVYSNOJ-UHFFFAOYSA-N
XLogP2.20
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(1-methoxypropan-2-yl)-2-(methylamino)quinoline-6-sulfonamide
CID 62163537
2-hydrazinyl-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide
CID 43456658
2-chloro-N-(2-methylpropoxy)quinoline-6-sulfonamide
CID 107856698
2-chloro-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 61004005
2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide
CID 61052466
2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide
CID 64570321
3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 5184702
N-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide
CID 134062008
4-methoxy-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
CID 884361
methyl 3-[(2-chloroquinolin-6-yl)sulfonylamino]propanoate
CID 61053588
2-chloro-N-(1-methoxypropan-2-yl)pyrimidine-5-sulfonamide
CID 43456403
N-(1-methoxypropan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 51170060

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide?
The IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide (CID 43456723) is 2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide is COCC(C)NS(=O)(=O)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide?
The InChIKey is SVNUJPUWVYSNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c1-9(8-19-2)16-20(17,18)11-4-5-12-10(7-11)3-6-13(14)15-12/h3-7,9,16H,8H2,1-2H3.
What are the key properties of 2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide?
2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide has a molecular weight of 314.79 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide is sourced from PubChem (CID 43456723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).