4-N,4-N-dimethyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-disulfonamide;hydrochloride

C14H24ClN3O5S2 — CID 23724415

IUPAC4-N,4-N-dimethyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-disulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1.Cl
InChIInChI=1S/C14H23N3O5S2.ClH/c1-16(2)24(20,21)14-5-3-13(4-6-14)23(18,19)15-7-8-17-9-11-22-12-10-17;/h3-6,15H,7-12H2,1-2H3;1H
InChIKeyGIHBCWZFSQIVSN-UHFFFAOYSA-N
MW413.95 g/mol
LogP-0.03
Rot. Bonds7

About 4-N,4-N-dimethyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-disulfonamide;hydrochloride

4-N,4-N-dimethyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-disulfonamide;hydrochloride (PubChem CID 23724415) has the molecular formula C14H24ClN3O5S2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-disulfonamide;hydrochloride.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-disulfonamide;hydrochloride
PubChem CID23724415
Molecular FormulaC14H24ClN3O5S2
Molecular Weight413.95 g/mol
Exact Mass413.08
IUPAC Name4-N,4-N-dimethyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-disulfonamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1.Cl
InChIInChI=1S/C14H23N3O5S2.ClH/c1-16(2)24(20,21)14-5-3-13(4-6-14)23(18,19)15-7-8-17-9-11-22-12-10-17;/h3-6,15H,7-12H2,1-2H3;1H
InChIKeyGIHBCWZFSQIVSN-UHFFFAOYSA-N
XLogP-0.03
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N,4-N-dimethyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-disulfonamide;hydrochloride 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,4-N-dimethyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-disulfonamide;hydrochloride?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-disulfonamide;hydrochloride (CID 23724415) is 4-N,4-N-dimethyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-disulfonamide;hydrochloride.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-disulfonamide;hydrochloride?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-disulfonamide;hydrochloride is CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1.Cl.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-disulfonamide;hydrochloride?
The InChIKey is GIHBCWZFSQIVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5S2.ClH/c1-16(2)24(20,21)14-5-3-13(4-6-14)23(18,19)15-7-8-17-9-11-22-12-10-17;/h3-6,15H,7-12H2,1-2H3;1H.
What are the key properties of 4-N,4-N-dimethyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-disulfonamide;hydrochloride?
4-N,4-N-dimethyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-disulfonamide;hydrochloride has a molecular weight of 413.95 g/mol, XLogP of -0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-disulfonamide;hydrochloride is sourced from PubChem (CID 23724415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).