4-N-cyclohexyl-1-N-(5-methoxyquinolin-8-yl)-4-N-methylbenzene-1,4-disulfonamide

C23H27N3O5S2 — CID 23607696

IUPAC4-N-cyclohexyl-1-N-(5-methoxyquinolin-8-yl)-4-N-methylbenzene-1,4-disulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c2ncccc12
InChIInChI=1S/C23H27N3O5S2/c1-26(17-7-4-3-5-8-17)33(29,30)19-12-10-18(11-13-19)32(27,28)25-21-14-15-22(31-2)20-9-6-16-24-23(20)21/h6,9-17,25H,3-5,7-8H2,1-2H3
InChIKeyDBWVGJBFDKXFGA-UHFFFAOYSA-N
MW489.62 g/mol
LogP4.00
Rot. Bonds7

About 4-N-cyclohexyl-1-N-(5-methoxyquinolin-8-yl)-4-N-methylbenzene-1,4-disulfonamide

4-N-cyclohexyl-1-N-(5-methoxyquinolin-8-yl)-4-N-methylbenzene-1,4-disulfonamide (PubChem CID 23607696) has the molecular formula C23H27N3O5S2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 4-N-cyclohexyl-1-N-(5-methoxyquinolin-8-yl)-4-N-methylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-cyclohexyl-1-N-(5-methoxyquinolin-8-yl)-4-N-methylbenzene-1,4-disulfonamide
PubChem CID23607696
Molecular FormulaC23H27N3O5S2
Molecular Weight489.62 g/mol
Exact Mass489.14
IUPAC Name4-N-cyclohexyl-1-N-(5-methoxyquinolin-8-yl)-4-N-methylbenzene-1,4-disulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c2ncccc12
InChIInChI=1S/C23H27N3O5S2/c1-26(17-7-4-3-5-8-17)33(29,30)19-12-10-18(11-13-19)32(27,28)25-21-14-15-22(31-2)20-9-6-16-24-23(20)21/h6,9-17,25H,3-5,7-8H2,1-2H3
InChIKeyDBWVGJBFDKXFGA-UHFFFAOYSA-N
XLogP4.00
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-cyclohexyl-1-N-(5-methoxyquinolin-8-yl)-4-N-methylbenzene-1,4-disulfonamide 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-N-cyclohexyl-1-N-(5-methoxyquinolin-8-yl)-4-N-methylbenzene-1,4-disulfonamide?
The IUPAC name of 4-N-cyclohexyl-1-N-(5-methoxyquinolin-8-yl)-4-N-methylbenzene-1,4-disulfonamide (CID 23607696) is 4-N-cyclohexyl-1-N-(5-methoxyquinolin-8-yl)-4-N-methylbenzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-cyclohexyl-1-N-(5-methoxyquinolin-8-yl)-4-N-methylbenzene-1,4-disulfonamide?
The canonical SMILES for 4-N-cyclohexyl-1-N-(5-methoxyquinolin-8-yl)-4-N-methylbenzene-1,4-disulfonamide is COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c2ncccc12.
What is the InChIKey of 4-N-cyclohexyl-1-N-(5-methoxyquinolin-8-yl)-4-N-methylbenzene-1,4-disulfonamide?
The InChIKey is DBWVGJBFDKXFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S2/c1-26(17-7-4-3-5-8-17)33(29,30)19-12-10-18(11-13-19)32(27,28)25-21-14-15-22(31-2)20-9-6-16-24-23(20)21/h6,9-17,25H,3-5,7-8H2,1-2H3.
What are the key properties of 4-N-cyclohexyl-1-N-(5-methoxyquinolin-8-yl)-4-N-methylbenzene-1,4-disulfonamide?
4-N-cyclohexyl-1-N-(5-methoxyquinolin-8-yl)-4-N-methylbenzene-1,4-disulfonamide has a molecular weight of 489.62 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-1-N-(5-methoxyquinolin-8-yl)-4-N-methylbenzene-1,4-disulfonamide is sourced from PubChem (CID 23607696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).