3-N,3-N,6-N,6-N-tetramethylquinoline-3,6-disulfonamide

C13H17N3O4S2 — CID 139226947

IUPAC3-N,3-N,6-N,6-N-tetramethylquinoline-3,6-disulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2ncc(S(=O)(=O)N(C)C)cc2c1
InChIInChI=1S/C13H17N3O4S2/c1-15(2)21(17,18)11-5-6-13-10(7-11)8-12(9-14-13)22(19,20)16(3)4/h5-9H,1-4H3
InChIKeyOQUONVYBPBZMIH-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.74
Rot. Bonds4

About 3-N,3-N,6-N,6-N-tetramethylquinoline-3,6-disulfonamide

3-N,3-N,6-N,6-N-tetramethylquinoline-3,6-disulfonamide (PubChem CID 139226947) has the molecular formula C13H17N3O4S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-N,3-N,6-N,6-N-tetramethylquinoline-3,6-disulfonamide.

Molecular Properties

Compound Name3-N,3-N,6-N,6-N-tetramethylquinoline-3,6-disulfonamide
PubChem CID139226947
Molecular FormulaC13H17N3O4S2
Molecular Weight343.43 g/mol
Exact Mass343.07
IUPAC Name3-N,3-N,6-N,6-N-tetramethylquinoline-3,6-disulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2ncc(S(=O)(=O)N(C)C)cc2c1
InChIInChI=1S/C13H17N3O4S2/c1-15(2)21(17,18)11-5-6-13-10(7-11)8-12(9-14-13)22(19,20)16(3)4/h5-9H,1-4H3
InChIKeyOQUONVYBPBZMIH-UHFFFAOYSA-N
XLogP0.74
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-N,3-N,6-N,6-N-tetramethylquinoline-3,6-disulfonamide 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

2,3-dichloro-N,N-dimethylquinoxaline-6-sulfonamide
CID 24845953
N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 68763718
3-(dimethylsulfamoyl)benzenesulfonyl fluoride
CID 114791207
2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 45259137
N,N-dimethyl-3-[(quinoxaline-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 32726076
5-(dimethylsulfamoyl)pyridine-2-carbothioamide
CID 114614067
5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-sulfonamide
CID 64607736
3-formyl-N,N,4-trimethylbenzenesulfonamide
CID 105484638
6-(2-amino-4-pyridinyl)-N,N-dimethylpyridine-3-sulfonamide
CID 171678680
2-chloro-N,N-diethylquinoxaline-6-sulfonamide
CID 50743348
1,3-bis[7-(dimethylsulfamoyl)naphthalen-2-yl]urea
CID 58665205
6-(cyanomethyl)-N,N-dimethylpyridine-3-sulfonamide
CID 103341340

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,6-N,6-N-tetramethylquinoline-3,6-disulfonamide?
The IUPAC name of 3-N,3-N,6-N,6-N-tetramethylquinoline-3,6-disulfonamide (CID 139226947) is 3-N,3-N,6-N,6-N-tetramethylquinoline-3,6-disulfonamide.
What is the SMILES notation for 3-N,3-N,6-N,6-N-tetramethylquinoline-3,6-disulfonamide?
The canonical SMILES for 3-N,3-N,6-N,6-N-tetramethylquinoline-3,6-disulfonamide is CN(C)S(=O)(=O)c1ccc2ncc(S(=O)(=O)N(C)C)cc2c1.
What is the InChIKey of 3-N,3-N,6-N,6-N-tetramethylquinoline-3,6-disulfonamide?
The InChIKey is OQUONVYBPBZMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S2/c1-15(2)21(17,18)11-5-6-13-10(7-11)8-12(9-14-13)22(19,20)16(3)4/h5-9H,1-4H3.
What are the key properties of 3-N,3-N,6-N,6-N-tetramethylquinoline-3,6-disulfonamide?
3-N,3-N,6-N,6-N-tetramethylquinoline-3,6-disulfonamide has a molecular weight of 343.43 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,6-N,6-N-tetramethylquinoline-3,6-disulfonamide is sourced from PubChem (CID 139226947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).