N-[2,5-difluoro-6-[fluoro(trifluoromethylsulfonyl)amino]pyrimidin-4-yl]-N,1,1,1-tetrafluoromethanesulfonamide

C6F10N4O4S2 — CID 19751755

IUPACN-[2,5-difluoro-6-[fluoro(trifluoromethylsulfonyl)amino]pyrimidin-4-yl]-N,1,1,1-tetrafluoromethanesulfonamide
SMILESO=S(=O)(N(F)c1nc(F)nc(N(F)S(=O)(=O)C(F)(F)F)c1F)C(F)(F)F
InChIInChI=1S/C6F10N4O4S2/c7-1-2(19(15)25(21,22)5(9,10)11)17-4(8)18-3(1)20(16)26(23,24)6(12,13)14
InChIKeyNZQPOSNFDDOBIJ-UHFFFAOYSA-N
MW446.20 g/mol
LogP1.84
Rot. Bonds4

About N-[2,5-difluoro-6-[fluoro(trifluoromethylsulfonyl)amino]pyrimidin-4-yl]-N,1,1,1-tetrafluoromethanesulfonamide

N-[2,5-difluoro-6-[fluoro(trifluoromethylsulfonyl)amino]pyrimidin-4-yl]-N,1,1,1-tetrafluoromethanesulfonamide (PubChem CID 19751755) has the molecular formula C6F10N4O4S2 and a molecular weight of 446.20 g/mol. Its IUPAC name is N-[2,5-difluoro-6-[fluoro(trifluoromethylsulfonyl)amino]pyrimidin-4-yl]-N,1,1,1-tetrafluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2,5-difluoro-6-[fluoro(trifluoromethylsulfonyl)amino]pyrimidin-4-yl]-N,1,1,1-tetrafluoromethanesulfonamide
PubChem CID19751755
Molecular FormulaC6F10N4O4S2
Molecular Weight446.20 g/mol
Exact Mass445.92
IUPAC NameN-[2,5-difluoro-6-[fluoro(trifluoromethylsulfonyl)amino]pyrimidin-4-yl]-N,1,1,1-tetrafluoromethanesulfonamide
SMILESO=S(=O)(N(F)c1nc(F)nc(N(F)S(=O)(=O)C(F)(F)F)c1F)C(F)(F)F
InChIInChI=1S/C6F10N4O4S2/c7-1-2(19(15)25(21,22)5(9,10)11)17-4(8)18-3(1)20(16)26(23,24)6(12,13)14
InChIKeyNZQPOSNFDDOBIJ-UHFFFAOYSA-N
XLogP1.84
TPSA100.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.20
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

perfluoro-[N-fluoro-N-(4-pyrimidinyl)methanesulphonamide]
CID 19751751
perfluoro-[N-(4-pyrimidinyl)methanesulphonamide]
CID 19751754
Sodium trifluoromethylsulfonyl-(2,5,6-trifluoropyrimidin-4-yl)azanide
CID 155632472
N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide
CID 158630401

Frequently Asked Questions

What is the IUPAC name of N-[2,5-difluoro-6-[fluoro(trifluoromethylsulfonyl)amino]pyrimidin-4-yl]-N,1,1,1-tetrafluoromethanesulfonamide?
The IUPAC name of N-[2,5-difluoro-6-[fluoro(trifluoromethylsulfonyl)amino]pyrimidin-4-yl]-N,1,1,1-tetrafluoromethanesulfonamide (CID 19751755) is N-[2,5-difluoro-6-[fluoro(trifluoromethylsulfonyl)amino]pyrimidin-4-yl]-N,1,1,1-tetrafluoromethanesulfonamide.
What is the SMILES notation for N-[2,5-difluoro-6-[fluoro(trifluoromethylsulfonyl)amino]pyrimidin-4-yl]-N,1,1,1-tetrafluoromethanesulfonamide?
The canonical SMILES for N-[2,5-difluoro-6-[fluoro(trifluoromethylsulfonyl)amino]pyrimidin-4-yl]-N,1,1,1-tetrafluoromethanesulfonamide is O=S(=O)(N(F)c1nc(F)nc(N(F)S(=O)(=O)C(F)(F)F)c1F)C(F)(F)F.
What is the InChIKey of N-[2,5-difluoro-6-[fluoro(trifluoromethylsulfonyl)amino]pyrimidin-4-yl]-N,1,1,1-tetrafluoromethanesulfonamide?
The InChIKey is NZQPOSNFDDOBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F10N4O4S2/c7-1-2(19(15)25(21,22)5(9,10)11)17-4(8)18-3(1)20(16)26(23,24)6(12,13)14.
What are the key properties of N-[2,5-difluoro-6-[fluoro(trifluoromethylsulfonyl)amino]pyrimidin-4-yl]-N,1,1,1-tetrafluoromethanesulfonamide?
N-[2,5-difluoro-6-[fluoro(trifluoromethylsulfonyl)amino]pyrimidin-4-yl]-N,1,1,1-tetrafluoromethanesulfonamide has a molecular weight of 446.20 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-difluoro-6-[fluoro(trifluoromethylsulfonyl)amino]pyrimidin-4-yl]-N,1,1,1-tetrafluoromethanesulfonamide is sourced from PubChem (CID 19751755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).