4-N-(3-morpholin-4-ylpropyl)benzene-1,4-disulfonamide

C13H21N3O5S2 — CID 25059530

IUPAC4-N-(3-morpholin-4-ylpropyl)benzene-1,4-disulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C13H21N3O5S2/c14-22(17,18)12-2-4-13(5-3-12)23(19,20)15-6-1-7-16-8-10-21-11-9-16/h2-5,15H,1,6-11H2,(H2,14,17,18)
InChIKeyCLQKLKMYYRXPTB-UHFFFAOYSA-N
MW363.46 g/mol
LogP-0.67
Rot. Bonds7

About 4-N-(3-morpholin-4-ylpropyl)benzene-1,4-disulfonamide

4-N-(3-morpholin-4-ylpropyl)benzene-1,4-disulfonamide (PubChem CID 25059530) has the molecular formula C13H21N3O5S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-N-(3-morpholin-4-ylpropyl)benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-(3-morpholin-4-ylpropyl)benzene-1,4-disulfonamide
PubChem CID25059530
Molecular FormulaC13H21N3O5S2
Molecular Weight363.46 g/mol
Exact Mass363.09
IUPAC Name4-N-(3-morpholin-4-ylpropyl)benzene-1,4-disulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C13H21N3O5S2/c14-22(17,18)12-2-4-13(5-3-12)23(19,20)15-6-1-7-16-8-10-21-11-9-16/h2-5,15H,1,6-11H2,(H2,14,17,18)
InChIKeyCLQKLKMYYRXPTB-UHFFFAOYSA-N
XLogP-0.67
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-N-(3-morpholin-4-ylpropyl)benzene-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-(3-morpholin-4-ylpropyl)benzene-1,4-disulfonamide?
The IUPAC name of 4-N-(3-morpholin-4-ylpropyl)benzene-1,4-disulfonamide (CID 25059530) is 4-N-(3-morpholin-4-ylpropyl)benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-(3-morpholin-4-ylpropyl)benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-(3-morpholin-4-ylpropyl)benzene-1,4-disulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of 4-N-(3-morpholin-4-ylpropyl)benzene-1,4-disulfonamide?
The InChIKey is CLQKLKMYYRXPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5S2/c14-22(17,18)12-2-4-13(5-3-12)23(19,20)15-6-1-7-16-8-10-21-11-9-16/h2-5,15H,1,6-11H2,(H2,14,17,18).
What are the key properties of 4-N-(3-morpholin-4-ylpropyl)benzene-1,4-disulfonamide?
4-N-(3-morpholin-4-ylpropyl)benzene-1,4-disulfonamide has a molecular weight of 363.46 g/mol, XLogP of -0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-morpholin-4-ylpropyl)benzene-1,4-disulfonamide is sourced from PubChem (CID 25059530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).