5-cyano-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide

C12H14FN3O4S — CID 67227483

IUPAC5-cyano-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide
SMILESN#Cc1cc(S(N)(=O)=O)cnc1OCC1(F)CCOCC1
InChIInChI=1S/C12H14FN3O4S/c13-12(1-3-19-4-2-12)8-20-11-9(6-14)5-10(7-16-11)21(15,17)18/h5,7H,1-4,8H2,(H2,15,17,18)
InChIKeyPBUCODIUDLDFBK-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.50
Rot. Bonds4

About 5-cyano-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide

5-cyano-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide (PubChem CID 67227483) has the molecular formula C12H14FN3O4S and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-cyano-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-cyano-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide
PubChem CID67227483
Molecular FormulaC12H14FN3O4S
Molecular Weight315.33 g/mol
Exact Mass315.07
IUPAC Name5-cyano-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide
SMILESN#Cc1cc(S(N)(=O)=O)cnc1OCC1(F)CCOCC1
InChIInChI=1S/C12H14FN3O4S/c13-12(1-3-19-4-2-12)8-20-11-9(6-14)5-10(7-16-11)21(15,17)18/h5,7H,1-4,8H2,(H2,15,17,18)
InChIKeyPBUCODIUDLDFBK-UHFFFAOYSA-N
XLogP0.50
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide?
The IUPAC name of 5-cyano-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide (CID 67227483) is 5-cyano-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide.
What is the SMILES notation for 5-cyano-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide?
The canonical SMILES for 5-cyano-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide is N#Cc1cc(S(N)(=O)=O)cnc1OCC1(F)CCOCC1.
What is the InChIKey of 5-cyano-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide?
The InChIKey is PBUCODIUDLDFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O4S/c13-12(1-3-19-4-2-12)8-20-11-9(6-14)5-10(7-16-11)21(15,17)18/h5,7H,1-4,8H2,(H2,15,17,18).
What are the key properties of 5-cyano-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide?
5-cyano-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide has a molecular weight of 315.33 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-6-[(4-fluorooxan-4-yl)methoxy]pyridine-3-sulfonamide is sourced from PubChem (CID 67227483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).