4-chloro-6-(methylsulfamoyl)quinoline-3-carboxamide

C11H10ClN3O3S — CID 59708498

IUPAC4-chloro-6-(methylsulfamoyl)quinoline-3-carboxamide
SMILESCNS(=O)(=O)c1ccc2ncc(C(N)=O)c(Cl)c2c1
InChIInChI=1S/C11H10ClN3O3S/c1-14-19(17,18)6-2-3-9-7(4-6)10(12)8(5-15-9)11(13)16/h2-5,14H,1H3,(H2,13,16)
InChIKeyLHKKHCOMTFSXTO-UHFFFAOYSA-N
MW299.74 g/mol
LogP0.90
Rot. Bonds3

About 4-chloro-6-(methylsulfamoyl)quinoline-3-carboxamide

4-chloro-6-(methylsulfamoyl)quinoline-3-carboxamide (PubChem CID 59708498) has the molecular formula C11H10ClN3O3S and a molecular weight of 299.74 g/mol. Its IUPAC name is 4-chloro-6-(methylsulfamoyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-chloro-6-(methylsulfamoyl)quinoline-3-carboxamide
PubChem CID59708498
Molecular FormulaC11H10ClN3O3S
Molecular Weight299.74 g/mol
Exact Mass299.01
IUPAC Name4-chloro-6-(methylsulfamoyl)quinoline-3-carboxamide
SMILESCNS(=O)(=O)c1ccc2ncc(C(N)=O)c(Cl)c2c1
InChIInChI=1S/C11H10ClN3O3S/c1-14-19(17,18)6-2-3-9-7(4-6)10(12)8(5-15-9)11(13)16/h2-5,14H,1H3,(H2,13,16)
InChIKeyLHKKHCOMTFSXTO-UHFFFAOYSA-N
XLogP0.90
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-(methylsulfamoyl)quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(methylsulfamoyl)quinoline-3-carboxamide?
The IUPAC name of 4-chloro-6-(methylsulfamoyl)quinoline-3-carboxamide (CID 59708498) is 4-chloro-6-(methylsulfamoyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-chloro-6-(methylsulfamoyl)quinoline-3-carboxamide?
The canonical SMILES for 4-chloro-6-(methylsulfamoyl)quinoline-3-carboxamide is CNS(=O)(=O)c1ccc2ncc(C(N)=O)c(Cl)c2c1.
What is the InChIKey of 4-chloro-6-(methylsulfamoyl)quinoline-3-carboxamide?
The InChIKey is LHKKHCOMTFSXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3S/c1-14-19(17,18)6-2-3-9-7(4-6)10(12)8(5-15-9)11(13)16/h2-5,14H,1H3,(H2,13,16).
What are the key properties of 4-chloro-6-(methylsulfamoyl)quinoline-3-carboxamide?
4-chloro-6-(methylsulfamoyl)quinoline-3-carboxamide has a molecular weight of 299.74 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(methylsulfamoyl)quinoline-3-carboxamide is sourced from PubChem (CID 59708498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).