2-cyano-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide

C13H15N3O4S — CID 110722704

IUPAC2-cyano-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCCN1CCOCC1=O
InChIInChI=1S/C13H15N3O4S/c14-9-11-3-1-2-4-12(11)21(18,19)15-5-6-16-7-8-20-10-13(16)17/h1-4,15H,5-8,10H2
InChIKeyXUIRHNXYAARBTI-UHFFFAOYSA-N
MW309.35 g/mol
LogP-0.30
Rot. Bonds5

About 2-cyano-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide

2-cyano-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide (PubChem CID 110722704) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-cyano-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
PubChem CID110722704
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name2-cyano-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCCN1CCOCC1=O
InChIInChI=1S/C13H15N3O4S/c14-9-11-3-1-2-4-12(11)21(18,19)15-5-6-16-7-8-20-10-13(16)17/h1-4,15H,5-8,10H2
InChIKeyXUIRHNXYAARBTI-UHFFFAOYSA-N
XLogP-0.30
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide (CID 110722704) is 2-cyano-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NCCN1CCOCC1=O.
What is the InChIKey of 2-cyano-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide?
The InChIKey is XUIRHNXYAARBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c14-9-11-3-1-2-4-12(11)21(18,19)15-5-6-16-7-8-20-10-13(16)17/h1-4,15H,5-8,10H2.
What are the key properties of 2-cyano-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide?
2-cyano-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide has a molecular weight of 309.35 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110722704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).