2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide

C15H19ClN2O2S — CID 64570321

IUPAC2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide
SMILESCC(C)C(C)CNS(=O)(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C15H19ClN2O2S/c1-10(2)11(3)9-17-21(19,20)13-5-6-14-12(8-13)4-7-15(16)18-14/h4-8,10-11,17H,9H2,1-3H3
InChIKeyZFKXDNLVAYLLQM-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.46
Rot. Bonds5

About 2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide

2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide (PubChem CID 64570321) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide
PubChem CID64570321
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide
SMILESCC(C)C(C)CNS(=O)(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C15H19ClN2O2S/c1-10(2)11(3)9-17-21(19,20)13-5-6-14-12(8-13)4-7-15(16)18-14/h4-8,10-11,17H,9H2,1-3H3
InChIKeyZFKXDNLVAYLLQM-UHFFFAOYSA-N
XLogP3.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-methylpropoxy)quinoline-6-sulfonamide
CID 107856698
2-chloro-N-(2-sulfamoylethyl)quinoline-6-sulfonamide
CID 43552240
2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide
CID 43456723
methyl 3-[(2-chloroquinolin-6-yl)sulfonylamino]propanoate
CID 61053588
4-[(2-chloroquinolin-6-yl)sulfonylamino]butanamide
CID 60864854
2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide
CID 61052466
2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide
CID 102700466
2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide
CID 62149054
N-(2,2-difluoroethyl)-2-(methylamino)quinoline-6-sulfonamide
CID 115408548
3-(2,3-dimethylbutylsulfamoyl)benzenesulfonyl fluoride
CID 114958375
2-chloro-N-(1H-pyrazol-4-yl)quinoline-6-sulfonamide
CID 43540237
3-amino-N-(2,3-dimethylbutyl)-4-hydroxybenzenesulfonamide
CID 64568806

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide?
The IUPAC name of 2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide (CID 64570321) is 2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide?
The canonical SMILES for 2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide is CC(C)C(C)CNS(=O)(=O)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide?
The InChIKey is ZFKXDNLVAYLLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-10(2)11(3)9-17-21(19,20)13-5-6-14-12(8-13)4-7-15(16)18-14/h4-8,10-11,17H,9H2,1-3H3.
What are the key properties of 2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide?
2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide has a molecular weight of 326.85 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide is sourced from PubChem (CID 64570321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).