N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide

C5H4F3N3O2S — CID 158630401

IUPACN-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1nc(F)nc(F)c1F
InChIInChI=1S/C5H4F3N3O2S/c1-14(12,13)11-4-2(6)3(7)9-5(8)10-4/h1H3,(H,9,10,11)
InChIKeySHPJWZIVDDYLKE-UHFFFAOYSA-N
MW227.17 g/mol
LogP0.27
Rot. Bonds2

About N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide

N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide (PubChem CID 158630401) has the molecular formula C5H4F3N3O2S and a molecular weight of 227.17 g/mol. Its IUPAC name is N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide
PubChem CID158630401
Molecular FormulaC5H4F3N3O2S
Molecular Weight227.17 g/mol
Exact Mass227.00
IUPAC NameN-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1nc(F)nc(F)c1F
InChIInChI=1S/C5H4F3N3O2S/c1-14(12,13)11-4-2(6)3(7)9-5(8)10-4/h1H3,(H,9,10,11)
InChIKeySHPJWZIVDDYLKE-UHFFFAOYSA-N
XLogP0.27
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-Trifluoro-5-(methanesulfonyl)pyrimidine
CID 19738394
perfluoro-[N-fluoro-N-(4-pyrimidinyl)methanesulphonamide]
CID 19751751
perfluoro-[N-(4-pyrimidinyl)methanesulphonamide]
CID 19751754
N-[2,5-difluoro-6-[fluoro(trifluoromethylsulfonyl)amino]pyrimidin-4-yl]-N,1,1,1-tetrafluoromethanesulfonamide
CID 19751755
N-(2,6-dichloro-5-fluoro-pyrimidin-4-yl)-N-methyl-methanesulfonamide
CID 86624844
N-(2,6-dichloro-5-fluoropyrimidin-4-yl)ethanesulfonamide
CID 91341730
6-Chloro-5-fluoro-2-methanesulfonylpyrimidin-4-amine
CID 129164603
Sodium trifluoromethylsulfonyl-(2,5,6-trifluoropyrimidin-4-yl)azanide
CID 155632472

Frequently Asked Questions

What is the IUPAC name of N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide?
The IUPAC name of N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide (CID 158630401) is N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide.
What is the SMILES notation for N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide?
The canonical SMILES for N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide is CS(=O)(=O)Nc1nc(F)nc(F)c1F.
What is the InChIKey of N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide?
The InChIKey is SHPJWZIVDDYLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O2S/c1-14(12,13)11-4-2(6)3(7)9-5(8)10-4/h1H3,(H,9,10,11).
What are the key properties of N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide?
N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide has a molecular weight of 227.17 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide is sourced from PubChem (CID 158630401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).