(2R,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride

C32H40F8N8O8S4 — CID 159127052

IUPAC(2R,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride
SMILESC[C@@H](c1ncc(F)cn1)[C@H](C)S(=O)(=O)F.C[C@H]([C@@H](C)c1ncc(F)cn1)S(=O)(=O)F.C[C@H](c1ncc(F)cn1)[C@@H](C)S(=O)(=O)F.C[C@H](c1ncc(F)cn1)[C@H](C)S(=O)(=O)F
InChIInChI=1S/4C8H10F2N2O2S/c4*1-5(6(2)15(10,13)14)8-11-3-7(9)4-12-8/h4*3-6H,1-2H3/t2*5-,6+;2*5-,6-/m1010/s1
InChIKeyKGKKNICUSFZLLA-KGJTXLAUSA-N
MW944.97 g/mol
LogP5.63
Rot. Bonds12

About (2R,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride

(2R,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride (PubChem CID 159127052) has the molecular formula C32H40F8N8O8S4 and a molecular weight of 944.97 g/mol. Its IUPAC name is (2R,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride.

Molecular Properties

Compound Name(2R,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride
PubChem CID159127052
Molecular FormulaC32H40F8N8O8S4
Molecular Weight944.97 g/mol
Exact Mass944.17
IUPAC Name(2R,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride
SMILESC[C@@H](c1ncc(F)cn1)[C@H](C)S(=O)(=O)F.C[C@H]([C@@H](C)c1ncc(F)cn1)S(=O)(=O)F.C[C@H](c1ncc(F)cn1)[C@@H](C)S(=O)(=O)F.C[C@H](c1ncc(F)cn1)[C@H](C)S(=O)(=O)F
InChIInChI=1S/4C8H10F2N2O2S/c4*1-5(6(2)15(10,13)14)8-11-3-7(9)4-12-8/h4*3-6H,1-2H3/t2*5-,6+;2*5-,6-/m1010/s1
InChIKeyKGKKNICUSFZLLA-KGJTXLAUSA-N
XLogP5.63
TPSA239.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500944.97
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze (2R,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride with MolForge

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Related Compounds

5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine
CID 126560646
ethane;3-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid
CID 142359161
(1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide;(1R,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
CID 158186309
(1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
CID 122702200
(2S)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide;(2R)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide
CID 159694547
1-(5-fluoropyrimidin-2-yl)ethanamine
CID 50994814
(1S,2S)-1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfonylpropan-1-ol
CID 126553351
(3R,4R)-4-(5-fluoropyrimidin-2-yl)-1-methoxypentane-3-thiol
CID 155417580
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;5-fluoro-2-[(2R,3R)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine;5-fluoro-2-[(2S,3S)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine
CID 158967797
5-[3-[[(2R,3S)-3-(5-fluoropyrimidin-2-yl)butan-2-yl]sulfonylmethyl]-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-4-yl]-4,6-dimethoxypyrimidine
CID 161491299
2-[(2R,3R)-3-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]butan-2-yl]-5-fluoropyrimidine
CID 159326921
2-[(2R,3S)-3-[[4-(1,3-dimethoxypropan-2-yl)-5-[(2R,5R)-5-methyloxolan-2-yl]-1,2,4-triazol-3-yl]methylsulfonyl]butan-2-yl]-5-fluoropyrimidine
CID 161209291

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride?
The IUPAC name of (2R,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride (CID 159127052) is (2R,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride.
What is the SMILES notation for (2R,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride?
The canonical SMILES for (2R,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride is C[C@@H](c1ncc(F)cn1)[C@H](C)S(=O)(=O)F.C[C@H]([C@@H](C)c1ncc(F)cn1)S(=O)(=O)F.C[C@H](c1ncc(F)cn1)[C@@H](C)S(=O)(=O)F.C[C@H](c1ncc(F)cn1)[C@H](C)S(=O)(=O)F.
What is the InChIKey of (2R,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride?
The InChIKey is KGKKNICUSFZLLA-KGJTXLAUSA-N. The full InChI is InChI=1S/4C8H10F2N2O2S/c4*1-5(6(2)15(10,13)14)8-11-3-7(9)4-12-8/h4*3-6H,1-2H3/t2*5-,6+;2*5-,6-/m1010/s1.
What are the key properties of (2R,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride?
(2R,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride has a molecular weight of 944.97 g/mol, XLogP of 5.63, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride is sourced from PubChem (CID 159127052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).