5-cyano-6-(2-morpholin-4-ylethoxy)pyridine-3-sulfonamide

C12H16N4O4S — CID 67126403

IUPAC5-cyano-6-(2-morpholin-4-ylethoxy)pyridine-3-sulfonamide
SMILESN#Cc1cc(S(N)(=O)=O)cnc1OCCN1CCOCC1
InChIInChI=1S/C12H16N4O4S/c13-8-10-7-11(21(14,17)18)9-15-12(10)20-6-3-16-1-4-19-5-2-16/h7,9H,1-6H2,(H2,14,17,18)
InChIKeyCAHQCVPCAFRXMM-UHFFFAOYSA-N
MW312.35 g/mol
LogP-0.69
Rot. Bonds5

About 5-cyano-6-(2-morpholin-4-ylethoxy)pyridine-3-sulfonamide

5-cyano-6-(2-morpholin-4-ylethoxy)pyridine-3-sulfonamide (PubChem CID 67126403) has the molecular formula C12H16N4O4S and a molecular weight of 312.35 g/mol. Its IUPAC name is 5-cyano-6-(2-morpholin-4-ylethoxy)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-cyano-6-(2-morpholin-4-ylethoxy)pyridine-3-sulfonamide
PubChem CID67126403
Molecular FormulaC12H16N4O4S
Molecular Weight312.35 g/mol
Exact Mass312.09
IUPAC Name5-cyano-6-(2-morpholin-4-ylethoxy)pyridine-3-sulfonamide
SMILESN#Cc1cc(S(N)(=O)=O)cnc1OCCN1CCOCC1
InChIInChI=1S/C12H16N4O4S/c13-8-10-7-11(21(14,17)18)9-15-12(10)20-6-3-16-1-4-19-5-2-16/h7,9H,1-6H2,(H2,14,17,18)
InChIKeyCAHQCVPCAFRXMM-UHFFFAOYSA-N
XLogP-0.69
TPSA118.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-6-(2-morpholin-4-ylethoxy)pyridine-3-sulfonamide?
The IUPAC name of 5-cyano-6-(2-morpholin-4-ylethoxy)pyridine-3-sulfonamide (CID 67126403) is 5-cyano-6-(2-morpholin-4-ylethoxy)pyridine-3-sulfonamide.
What is the SMILES notation for 5-cyano-6-(2-morpholin-4-ylethoxy)pyridine-3-sulfonamide?
The canonical SMILES for 5-cyano-6-(2-morpholin-4-ylethoxy)pyridine-3-sulfonamide is N#Cc1cc(S(N)(=O)=O)cnc1OCCN1CCOCC1.
What is the InChIKey of 5-cyano-6-(2-morpholin-4-ylethoxy)pyridine-3-sulfonamide?
The InChIKey is CAHQCVPCAFRXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S/c13-8-10-7-11(21(14,17)18)9-15-12(10)20-6-3-16-1-4-19-5-2-16/h7,9H,1-6H2,(H2,14,17,18).
What are the key properties of 5-cyano-6-(2-morpholin-4-ylethoxy)pyridine-3-sulfonamide?
5-cyano-6-(2-morpholin-4-ylethoxy)pyridine-3-sulfonamide has a molecular weight of 312.35 g/mol, XLogP of -0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-6-(2-morpholin-4-ylethoxy)pyridine-3-sulfonamide is sourced from PubChem (CID 67126403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).