sodium trifluoromethylsulfonyl-(2,5,6-trifluoropyrimidin-4-yl)azanide

C5F6N3NaO2S — CID 155632472

IUPACsodium trifluoromethylsulfonyl-(2,5,6-trifluoropyrimidin-4-yl)azanide
SMILESO=S(=O)([N-]c1nc(F)nc(F)c1F)C(F)(F)F.[Na+]
InChIInChI=1S/C5F6N3O2S.Na/c6-1-2(7)12-4(8)13-3(1)14-17(15,16)5(9,10)11;/q-1;+1
InChIKeyYHZAFSFQAHYZRM-UHFFFAOYSA-N
MW303.12 g/mol
LogP-1.25
Rot. Bonds2

About sodium trifluoromethylsulfonyl-(2,5,6-trifluoropyrimidin-4-yl)azanide

sodium trifluoromethylsulfonyl-(2,5,6-trifluoropyrimidin-4-yl)azanide (PubChem CID 155632472) has the molecular formula C5F6N3NaO2S and a molecular weight of 303.12 g/mol. Its IUPAC name is sodium trifluoromethylsulfonyl-(2,5,6-trifluoropyrimidin-4-yl)azanide.

Molecular Properties

Compound Namesodium trifluoromethylsulfonyl-(2,5,6-trifluoropyrimidin-4-yl)azanide
PubChem CID155632472
Molecular FormulaC5F6N3NaO2S
Molecular Weight303.12 g/mol
Exact Mass302.95
IUPAC Namesodium trifluoromethylsulfonyl-(2,5,6-trifluoropyrimidin-4-yl)azanide
SMILESO=S(=O)([N-]c1nc(F)nc(F)c1F)C(F)(F)F.[Na+]
InChIInChI=1S/C5F6N3O2S.Na/c6-1-2(7)12-4(8)13-3(1)14-17(15,16)5(9,10)11;/q-1;+1
InChIKeyYHZAFSFQAHYZRM-UHFFFAOYSA-N
XLogP-1.25
TPSA74.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 5-1.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium trifluoromethylsulfonyl-(2,5,6-trifluoropyrimidin-4-yl)azanide?
The IUPAC name of sodium trifluoromethylsulfonyl-(2,5,6-trifluoropyrimidin-4-yl)azanide (CID 155632472) is sodium trifluoromethylsulfonyl-(2,5,6-trifluoropyrimidin-4-yl)azanide.
What is the SMILES notation for sodium trifluoromethylsulfonyl-(2,5,6-trifluoropyrimidin-4-yl)azanide?
The canonical SMILES for sodium trifluoromethylsulfonyl-(2,5,6-trifluoropyrimidin-4-yl)azanide is O=S(=O)([N-]c1nc(F)nc(F)c1F)C(F)(F)F.[Na+].
What is the InChIKey of sodium trifluoromethylsulfonyl-(2,5,6-trifluoropyrimidin-4-yl)azanide?
The InChIKey is YHZAFSFQAHYZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F6N3O2S.Na/c6-1-2(7)12-4(8)13-3(1)14-17(15,16)5(9,10)11;/q-1;+1.
What are the key properties of sodium trifluoromethylsulfonyl-(2,5,6-trifluoropyrimidin-4-yl)azanide?
sodium trifluoromethylsulfonyl-(2,5,6-trifluoropyrimidin-4-yl)azanide has a molecular weight of 303.12 g/mol, XLogP of -1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium trifluoromethylsulfonyl-(2,5,6-trifluoropyrimidin-4-yl)azanide is sourced from PubChem (CID 155632472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).