2-cyano-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide

C13H15N3O4S — CID 110710219

IUPAC2-cyano-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
SMILESCN1CC(CNS(=O)(=O)c2ccccc2C#N)OCC1=O
InChIInChI=1S/C13H15N3O4S/c1-16-8-11(20-9-13(16)17)7-15-21(18,19)12-5-3-2-4-10(12)6-14/h2-5,11,15H,7-9H2,1H3
InChIKeyNVIORHDOORSESV-UHFFFAOYSA-N
MW309.35 g/mol
LogP-0.31
Rot. Bonds4

About 2-cyano-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide

2-cyano-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide (PubChem CID 110710219) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-cyano-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
PubChem CID110710219
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name2-cyano-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
SMILESCN1CC(CNS(=O)(=O)c2ccccc2C#N)OCC1=O
InChIInChI=1S/C13H15N3O4S/c1-16-8-11(20-9-13(16)17)7-15-21(18,19)12-5-3-2-4-10(12)6-14/h2-5,11,15H,7-9H2,1H3
InChIKeyNVIORHDOORSESV-UHFFFAOYSA-N
XLogP-0.31
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide (CID 110710219) is 2-cyano-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide is CN1CC(CNS(=O)(=O)c2ccccc2C#N)OCC1=O.
What is the InChIKey of 2-cyano-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide?
The InChIKey is NVIORHDOORSESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-16-8-11(20-9-13(16)17)7-15-21(18,19)12-5-3-2-4-10(12)6-14/h2-5,11,15H,7-9H2,1H3.
What are the key properties of 2-cyano-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide?
2-cyano-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide has a molecular weight of 309.35 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110710219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).