5-cyano-6-[(4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide

C14H19N3O4S — CID 67227799

IUPAC5-cyano-6-[(4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide
SMILESCC1(O)CCC(COc2ncc(S(N)(=O)=O)cc2C#N)CC1
InChIInChI=1S/C14H19N3O4S/c1-14(18)4-2-10(3-5-14)9-21-13-11(7-15)6-12(8-17-13)22(16,19)20/h6,8,10,18H,2-5,9H2,1H3,(H2,16,19,20)
InChIKeyLJVOJLCBJZYBMG-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.92
Rot. Bonds4

About 5-cyano-6-[(4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide

5-cyano-6-[(4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide (PubChem CID 67227799) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 5-cyano-6-[(4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-cyano-6-[(4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide
PubChem CID67227799
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name5-cyano-6-[(4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide
SMILESCC1(O)CCC(COc2ncc(S(N)(=O)=O)cc2C#N)CC1
InChIInChI=1S/C14H19N3O4S/c1-14(18)4-2-10(3-5-14)9-21-13-11(7-15)6-12(8-17-13)22(16,19)20/h6,8,10,18H,2-5,9H2,1H3,(H2,16,19,20)
InChIKeyLJVOJLCBJZYBMG-UHFFFAOYSA-N
XLogP0.92
TPSA126.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-6-[(4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide?
The IUPAC name of 5-cyano-6-[(4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide (CID 67227799) is 5-cyano-6-[(4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide.
What is the SMILES notation for 5-cyano-6-[(4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide?
The canonical SMILES for 5-cyano-6-[(4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide is CC1(O)CCC(COc2ncc(S(N)(=O)=O)cc2C#N)CC1.
What is the InChIKey of 5-cyano-6-[(4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide?
The InChIKey is LJVOJLCBJZYBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-14(18)4-2-10(3-5-14)9-21-13-11(7-15)6-12(8-17-13)22(16,19)20/h6,8,10,18H,2-5,9H2,1H3,(H2,16,19,20).
What are the key properties of 5-cyano-6-[(4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide?
5-cyano-6-[(4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide has a molecular weight of 325.39 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-6-[(4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide is sourced from PubChem (CID 67227799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).