2-chloro-N-(2-methylpropoxy)quinoline-6-sulfonamide

C13H15ClN2O3S — CID 107856698

IUPAC2-chloro-N-(2-methylpropoxy)quinoline-6-sulfonamide
SMILESCC(C)CONS(=O)(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C13H15ClN2O3S/c1-9(2)8-19-16-20(17,18)11-4-5-12-10(7-11)3-6-13(14)15-12/h3-7,9,16H,8H2,1-2H3
InChIKeyFLQFDOSNMTUOOC-UHFFFAOYSA-N
MW314.79 g/mol
LogP2.75
Rot. Bonds5

About 2-chloro-N-(2-methylpropoxy)quinoline-6-sulfonamide

2-chloro-N-(2-methylpropoxy)quinoline-6-sulfonamide (PubChem CID 107856698) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is 2-chloro-N-(2-methylpropoxy)quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylpropoxy)quinoline-6-sulfonamide
PubChem CID107856698
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Name2-chloro-N-(2-methylpropoxy)quinoline-6-sulfonamide
SMILESCC(C)CONS(=O)(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C13H15ClN2O3S/c1-9(2)8-19-16-20(17,18)11-4-5-12-10(7-11)3-6-13(14)15-12/h3-7,9,16H,8H2,1-2H3
InChIKeyFLQFDOSNMTUOOC-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide
CID 43456723
2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide
CID 64570321
2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide
CID 61052466
3,4-difluoro-N-(2-methylpropoxy)benzenesulfonamide
CID 82715795
methyl 3-[(2-chloroquinolin-6-yl)sulfonylamino]propanoate
CID 61053588
2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide
CID 62149054
2-chloro-N-(2-sulfamoylethyl)quinoline-6-sulfonamide
CID 43552240
2-chloro-N-(2-methylpropoxy)-5-methylsulfonylbenzenesulfonamide
CID 82715577
3-acetyl-N-(2-methylpropoxy)benzenesulfonamide
CID 82715915
2-chloro-N-(1H-pyrazol-4-yl)quinoline-6-sulfonamide
CID 43540237
4-butan-2-yl-N-(2-methylpropoxy)benzenesulfonamide
CID 82715696
2-chloro-N-piperidin-1-ylquinoline-6-sulfonamide
CID 83017406

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylpropoxy)quinoline-6-sulfonamide?
The IUPAC name of 2-chloro-N-(2-methylpropoxy)quinoline-6-sulfonamide (CID 107856698) is 2-chloro-N-(2-methylpropoxy)quinoline-6-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-methylpropoxy)quinoline-6-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-methylpropoxy)quinoline-6-sulfonamide is CC(C)CONS(=O)(=O)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-(2-methylpropoxy)quinoline-6-sulfonamide?
The InChIKey is FLQFDOSNMTUOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c1-9(2)8-19-16-20(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-(2-methylpropoxy)quinoline-6-sulfonamide?
2-chloro-N-(2-methylpropoxy)quinoline-6-sulfonamide has a molecular weight of 314.79 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylpropoxy)quinoline-6-sulfonamide is sourced from PubChem (CID 107856698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).