6-[(4-fluorooxan-4-yl)methoxy]-N-(oxolan-2-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide

C16H20F4N2O5S — CID 150779177

IUPAC6-[(4-fluorooxan-4-yl)methoxy]-N-(oxolan-2-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCCO1)c1cnc(OCC2(F)CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H20F4N2O5S/c17-15(3-6-25-7-4-15)10-27-14-12(16(18,19)20)8-11(9-21-14)28(23,24)22-13-2-1-5-26-13/h8-9,13,22H,1-7,10H2
InChIKeyKBMUBYORAICZKE-UHFFFAOYSA-N
MW428.40 g/mol
LogP2.41
Rot. Bonds6

About 6-[(4-fluorooxan-4-yl)methoxy]-N-(oxolan-2-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide

6-[(4-fluorooxan-4-yl)methoxy]-N-(oxolan-2-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 150779177) has the molecular formula C16H20F4N2O5S and a molecular weight of 428.40 g/mol. Its IUPAC name is 6-[(4-fluorooxan-4-yl)methoxy]-N-(oxolan-2-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(4-fluorooxan-4-yl)methoxy]-N-(oxolan-2-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID150779177
Molecular FormulaC16H20F4N2O5S
Molecular Weight428.40 g/mol
Exact Mass428.10
IUPAC Name6-[(4-fluorooxan-4-yl)methoxy]-N-(oxolan-2-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCCO1)c1cnc(OCC2(F)CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H20F4N2O5S/c17-15(3-6-25-7-4-15)10-27-14-12(16(18,19)20)8-11(9-21-14)28(23,24)22-13-2-1-5-26-13/h8-9,13,22H,1-7,10H2
InChIKeyKBMUBYORAICZKE-UHFFFAOYSA-N
XLogP2.41
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorooxan-4-yl)methoxy]-N-(oxolan-2-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-[(4-fluorooxan-4-yl)methoxy]-N-(oxolan-2-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide (CID 150779177) is 6-[(4-fluorooxan-4-yl)methoxy]-N-(oxolan-2-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[(4-fluorooxan-4-yl)methoxy]-N-(oxolan-2-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[(4-fluorooxan-4-yl)methoxy]-N-(oxolan-2-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide is O=S(=O)(NC1CCCO1)c1cnc(OCC2(F)CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of 6-[(4-fluorooxan-4-yl)methoxy]-N-(oxolan-2-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is KBMUBYORAICZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F4N2O5S/c17-15(3-6-25-7-4-15)10-27-14-12(16(18,19)20)8-11(9-21-14)28(23,24)22-13-2-1-5-26-13/h8-9,13,22H,1-7,10H2.
What are the key properties of 6-[(4-fluorooxan-4-yl)methoxy]-N-(oxolan-2-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide?
6-[(4-fluorooxan-4-yl)methoxy]-N-(oxolan-2-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 428.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorooxan-4-yl)methoxy]-N-(oxolan-2-yl)-5-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 150779177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).