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

C14H22N2O5S2 — CID 110345563

IUPAC3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCS(=O)(=O)N2CCOC(C)C2)c1
InChIInChI=1S/C14H22N2O5S2/c1-12-4-3-5-14(10-12)23(19,20)15-6-9-22(17,18)16-7-8-21-13(2)11-16/h3-5,10,13,15H,6-9,11H2,1-2H3
InChIKeyIVIGPDQMUDJKMQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP0.32
Rot. Bonds6

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

3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide (PubChem CID 110345563) has the molecular formula C14H22N2O5S2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
PubChem CID110345563
Molecular FormulaC14H22N2O5S2
Molecular Weight362.47 g/mol
Exact Mass362.10
IUPAC Name3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCS(=O)(=O)N2CCOC(C)C2)c1
InChIInChI=1S/C14H22N2O5S2/c1-12-4-3-5-14(10-12)23(19,20)15-6-9-22(17,18)16-7-8-21-13(2)11-16/h3-5,10,13,15H,6-9,11H2,1-2H3
InChIKeyIVIGPDQMUDJKMQ-UHFFFAOYSA-N
XLogP0.32
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
CID 110345547
4-fluoro-3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide
CID 110345553
3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzamide
CID 110345478
(2R)-2-methyl-4-(2-phenylethylsulfonyl)morpholine
CID 51710241
1-(3-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)methanesulfonamide
CID 110287654
4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine
CID 51294935
[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252952
2-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(3-methylphenyl)methyl]ethanamine
CID 51119420
N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]-2-phenoxyacetamide
CID 110345502
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
CID 113065190
2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline
CID 43104694

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide (CID 110345563) is 3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NCCS(=O)(=O)N2CCOC(C)C2)c1.
What is the InChIKey of 3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide?
The InChIKey is IVIGPDQMUDJKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S2/c1-12-4-3-5-14(10-12)23(19,20)15-6-9-22(17,18)16-7-8-21-13(2)11-16/h3-5,10,13,15H,6-9,11H2,1-2H3.
What are the key properties of 3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide?
3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide has a molecular weight of 362.47 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methylmorpholin-4-yl)sulfonylethyl]benzenesulfonamide is sourced from PubChem (CID 110345563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).