N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide

C11H16N2O5S2 — CID 49236430

IUPACN-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C11H16N2O5S2/c1-12-19(14,15)10-3-2-4-11(9-10)20(16,17)13-5-7-18-8-6-13/h2-4,9,12H,5-8H2,1H3
InChIKeyQTYLPEPUOXTTPK-UHFFFAOYSA-N
MW320.39 g/mol
LogP-0.38
Rot. Bonds4

About N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide

N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide (PubChem CID 49236430) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide
PubChem CID49236430
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC NameN-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C11H16N2O5S2/c1-12-19(14,15)10-3-2-4-11(9-10)20(16,17)13-5-7-18-8-6-13/h2-4,9,12H,5-8H2,1H3
InChIKeyQTYLPEPUOXTTPK-UHFFFAOYSA-N
XLogP-0.38
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine
CID 2054799
[2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 25044862
N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 6469836
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1456436
1-methyl-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 19680404
3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 22203318
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
2-(methylamino)-5-morpholin-4-ylsulfonylphenol
CID 42647844
N-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine
CID 60872840
4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 5301615
4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 651778

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide (CID 49236430) is N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide is CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide?
The InChIKey is QTYLPEPUOXTTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c1-12-19(14,15)10-3-2-4-11(9-10)20(16,17)13-5-7-18-8-6-13/h2-4,9,12H,5-8H2,1H3.
What are the key properties of N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide?
N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide has a molecular weight of 320.39 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 49236430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).