6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid

C16H14N2O4S2 — CID 3374925

IUPAC6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid
SMILESCN(C)S(=O)(=O)c1ccc2nc(-c3cccs3)cc(C(=O)O)c2c1
InChIInChI=1S/C16H14N2O4S2/c1-18(2)24(21,22)10-5-6-13-11(8-10)12(16(19)20)9-14(17-13)15-4-3-7-23-15/h3-9H,1-2H3,(H,19,20)
InChIKeySTYPSGCZENDEJY-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.91
Rot. Bonds4

About 6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid

6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid (PubChem CID 3374925) has the molecular formula C16H14N2O4S2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid
PubChem CID3374925
Molecular FormulaC16H14N2O4S2
Molecular Weight362.43 g/mol
Exact Mass362.04
IUPAC Name6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid
SMILESCN(C)S(=O)(=O)c1ccc2nc(-c3cccs3)cc(C(=O)O)c2c1
InChIInChI=1S/C16H14N2O4S2/c1-18(2)24(21,22)10-5-6-13-11(8-10)12(16(19)20)9-14(17-13)15-4-3-7-23-15/h3-9H,1-2H3,(H,19,20)
InChIKeySTYPSGCZENDEJY-UHFFFAOYSA-N
XLogP2.91
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

6-pyrrolidin-1-ylsulfonyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 3509609
6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 1016749
6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 625807
6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 860396
6-(dimethylsulfamoyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
CID 4645947
6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
CID 3889769
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 4989292
6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 86004329
N,4-dimethyl-N-[2-oxo-2-[2-(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
CID 27681392
methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate
CID 164676976
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 78835129
5-bromo-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 29051523

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid (CID 3374925) is 6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid is CN(C)S(=O)(=O)c1ccc2nc(-c3cccs3)cc(C(=O)O)c2c1.
What is the InChIKey of 6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid?
The InChIKey is STYPSGCZENDEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S2/c1-18(2)24(21,22)10-5-6-13-11(8-10)12(16(19)20)9-14(17-13)15-4-3-7-23-15/h3-9H,1-2H3,(H,19,20).
What are the key properties of 6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid?
6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylsulfamoyl)-2-thiophen-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 3374925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).