5-cyano-6-(1,4-dioxan-2-ylmethoxy)pyridine-3-sulfonamide

C11H13N3O5S — CID 67126558

IUPAC5-cyano-6-(1,4-dioxan-2-ylmethoxy)pyridine-3-sulfonamide
SMILESN#Cc1cc(S(N)(=O)=O)cnc1OCC1COCCO1
InChIInChI=1S/C11H13N3O5S/c12-4-8-3-10(20(13,15)16)5-14-11(8)19-7-9-6-17-1-2-18-9/h3,5,9H,1-2,6-7H2,(H2,13,15,16)
InChIKeyMKFXPKQNSHXEEB-UHFFFAOYSA-N
MW299.31 g/mol
LogP-0.61
Rot. Bonds4

About 5-cyano-6-(1,4-dioxan-2-ylmethoxy)pyridine-3-sulfonamide

5-cyano-6-(1,4-dioxan-2-ylmethoxy)pyridine-3-sulfonamide (PubChem CID 67126558) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 5-cyano-6-(1,4-dioxan-2-ylmethoxy)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-cyano-6-(1,4-dioxan-2-ylmethoxy)pyridine-3-sulfonamide
PubChem CID67126558
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name5-cyano-6-(1,4-dioxan-2-ylmethoxy)pyridine-3-sulfonamide
SMILESN#Cc1cc(S(N)(=O)=O)cnc1OCC1COCCO1
InChIInChI=1S/C11H13N3O5S/c12-4-8-3-10(20(13,15)16)5-14-11(8)19-7-9-6-17-1-2-18-9/h3,5,9H,1-2,6-7H2,(H2,13,15,16)
InChIKeyMKFXPKQNSHXEEB-UHFFFAOYSA-N
XLogP-0.61
TPSA124.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-6-(1,4-dioxan-2-ylmethoxy)pyridine-3-sulfonamide?
The IUPAC name of 5-cyano-6-(1,4-dioxan-2-ylmethoxy)pyridine-3-sulfonamide (CID 67126558) is 5-cyano-6-(1,4-dioxan-2-ylmethoxy)pyridine-3-sulfonamide.
What is the SMILES notation for 5-cyano-6-(1,4-dioxan-2-ylmethoxy)pyridine-3-sulfonamide?
The canonical SMILES for 5-cyano-6-(1,4-dioxan-2-ylmethoxy)pyridine-3-sulfonamide is N#Cc1cc(S(N)(=O)=O)cnc1OCC1COCCO1.
What is the InChIKey of 5-cyano-6-(1,4-dioxan-2-ylmethoxy)pyridine-3-sulfonamide?
The InChIKey is MKFXPKQNSHXEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c12-4-8-3-10(20(13,15)16)5-14-11(8)19-7-9-6-17-1-2-18-9/h3,5,9H,1-2,6-7H2,(H2,13,15,16).
What are the key properties of 5-cyano-6-(1,4-dioxan-2-ylmethoxy)pyridine-3-sulfonamide?
5-cyano-6-(1,4-dioxan-2-ylmethoxy)pyridine-3-sulfonamide has a molecular weight of 299.31 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-6-(1,4-dioxan-2-ylmethoxy)pyridine-3-sulfonamide is sourced from PubChem (CID 67126558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).