3,4-dimethyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide

C15H24N2O5S2 — CID 110345547

IUPAC3,4-dimethyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCOC(C)C2)cc1C
InChIInChI=1S/C15H24N2O5S2/c1-12-4-5-15(10-13(12)2)24(20,21)16-6-9-23(18,19)17-7-8-22-14(3)11-17/h4-5,10,14,16H,6-9,11H2,1-3H3
InChIKeyBGMABQAITDJQOM-UHFFFAOYSA-N
MW376.50 g/mol
LogP0.63
Rot. Bonds6

About 3,4-dimethyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide

3,4-dimethyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide (PubChem CID 110345547) has the molecular formula C15H24N2O5S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
PubChem CID110345547
Molecular FormulaC15H24N2O5S2
Molecular Weight376.50 g/mol
Exact Mass376.11
IUPAC Name3,4-dimethyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCOC(C)C2)cc1C
InChIInChI=1S/C15H24N2O5S2/c1-12-4-5-15(10-13(12)2)24(20,21)16-6-9-23(18,19)17-7-8-22-14(3)11-17/h4-5,10,14,16H,6-9,11H2,1-3H3
InChIKeyBGMABQAITDJQOM-UHFFFAOYSA-N
XLogP0.63
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dimethyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide 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 3,4-dimethyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide (CID 110345547) is 3,4-dimethyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCOC(C)C2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide?
The InChIKey is BGMABQAITDJQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S2/c1-12-4-5-15(10-13(12)2)24(20,21)16-6-9-23(18,19)17-7-8-22-14(3)11-17/h4-5,10,14,16H,6-9,11H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide?
3,4-dimethyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide has a molecular weight of 376.50 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide is sourced from PubChem (CID 110345547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).