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

C11H12ClN3O4S2 — CID 43552240

IUPAC2-chloro-N-(2-sulfamoylethyl)quinoline-6-sulfonamide
SMILESNS(=O)(=O)CCNS(=O)(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C11H12ClN3O4S2/c12-11-4-1-8-7-9(2-3-10(8)15-11)21(18,19)14-5-6-20(13,16)17/h1-4,7,14H,5-6H2,(H2,13,16,17)
InChIKeyGJGRSUHGMXLPHH-UHFFFAOYSA-N
MW349.82 g/mol
LogP0.46
Rot. Bonds5

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

2-chloro-N-(2-sulfamoylethyl)quinoline-6-sulfonamide (PubChem CID 43552240) has the molecular formula C11H12ClN3O4S2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-chloro-N-(2-sulfamoylethyl)quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-sulfamoylethyl)quinoline-6-sulfonamide
PubChem CID43552240
Molecular FormulaC11H12ClN3O4S2
Molecular Weight349.82 g/mol
Exact Mass349.00
IUPAC Name2-chloro-N-(2-sulfamoylethyl)quinoline-6-sulfonamide
SMILESNS(=O)(=O)CCNS(=O)(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C11H12ClN3O4S2/c12-11-4-1-8-7-9(2-3-10(8)15-11)21(18,19)14-5-6-20(13,16)17/h1-4,7,14H,5-6H2,(H2,13,16,17)
InChIKeyGJGRSUHGMXLPHH-UHFFFAOYSA-N
XLogP0.46
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-chloroquinolin-6-yl)sulfonylamino]butanamide
CID 60864854
methyl 3-[(2-chloroquinolin-6-yl)sulfonylamino]propanoate
CID 61053588
2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide
CID 64570321
2-amino-N-butylquinoline-6-sulfonamide
CID 62148529
2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide
CID 62149054
2-amino-N-(4-methoxybutyl)quinoline-6-sulfonamide
CID 62157318
N-(2-amino-4-chlorophenyl)-2-chloroquinoline-6-sulfonamide
CID 118579987
2-chloro-N-(2-methylpropoxy)quinoline-6-sulfonamide
CID 107856698
6-(aminomethyl)-N-(2-sulfamoylethyl)pyridine-3-sulfonamide
CID 114613166
2-chloro-N-piperidin-1-ylquinoline-6-sulfonamide
CID 83017406
2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide
CID 61052466
2-chloro-N-(1-methoxypropan-2-yl)quinoline-6-sulfonamide
CID 43456723

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-sulfamoylethyl)quinoline-6-sulfonamide?
The IUPAC name of 2-chloro-N-(2-sulfamoylethyl)quinoline-6-sulfonamide (CID 43552240) is 2-chloro-N-(2-sulfamoylethyl)quinoline-6-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-sulfamoylethyl)quinoline-6-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-sulfamoylethyl)quinoline-6-sulfonamide is NS(=O)(=O)CCNS(=O)(=O)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-(2-sulfamoylethyl)quinoline-6-sulfonamide?
The InChIKey is GJGRSUHGMXLPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O4S2/c12-11-4-1-8-7-9(2-3-10(8)15-11)21(18,19)14-5-6-20(13,16)17/h1-4,7,14H,5-6H2,(H2,13,16,17).
What are the key properties of 2-chloro-N-(2-sulfamoylethyl)quinoline-6-sulfonamide?
2-chloro-N-(2-sulfamoylethyl)quinoline-6-sulfonamide has a molecular weight of 349.82 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-sulfamoylethyl)quinoline-6-sulfonamide is sourced from PubChem (CID 43552240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).