(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide

C8H12FN3O2S — CID 122701425

IUPAC(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide
SMILESC[C@H](c1ncc(F)cn1)[C@H](C)S(N)(=O)=O
InChIInChI=1S/C8H12FN3O2S/c1-5(6(2)15(10,13)14)8-11-3-7(9)4-12-8/h3-6H,1-2H3,(H2,10,13,14)/t5-,6-/m0/s1
InChIKeyKOHOTORNQAKCAO-WDSKDSINSA-N
MW233.27 g/mol
LogP0.40
Rot. Bonds3

About (2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide

(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide (PubChem CID 122701425) has the molecular formula C8H12FN3O2S and a molecular weight of 233.27 g/mol. Its IUPAC name is (2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide.

Molecular Properties

Compound Name(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide
PubChem CID122701425
Molecular FormulaC8H12FN3O2S
Molecular Weight233.27 g/mol
Exact Mass233.06
IUPAC Name(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide
SMILESC[C@H](c1ncc(F)cn1)[C@H](C)S(N)(=O)=O
InChIInChI=1S/C8H12FN3O2S/c1-5(6(2)15(10,13)14)8-11-3-7(9)4-12-8/h3-6H,1-2H3,(H2,10,13,14)/t5-,6-/m0/s1
InChIKeyKOHOTORNQAKCAO-WDSKDSINSA-N
XLogP0.40
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10058550, Example 313.0
CID 122701338
(2S,3R)-3-(5-Methylpyrimidin-2-yl)butane-2-sulfonamide
CID 122702009
(4-Amino-2-methylpyrimidin-5-yl)methanesulfonic acid
CID 295887
US10058550, Example 676.0
CID 122701357
N-({1-[(2-Methylpyrimidin-5-YL)methyl]pyrrolidin-3-YL}methyl)cyclopropanesulfonamide
CID 56758748
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)propane-1-sulfonamide
CID 91814123
N-[3-[[4-(2,2-difluoroethylamino)-5-fluoropyrimidin-2-yl]amino]propyl]ethanesulfonamide
CID 132312827
4-Fluoro-2-methyl-5-methylsulfonylpyrimidine
CID 17804395
[4-(Dimethylaminomethylideneamino)-5-fluoropyrimidin-2-yl] propane-1-sulfonate
CID 57819259
N-[(2S)-2-(5-fluoropyrimidin-2-yl)propyl]propane-2-sulfinamide
CID 66623762
N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-(2R)-methylpropane-2-sulfinamide
CID 66623763
N-[(5-fluoropyrimidin-2-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 66624389

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide?
The IUPAC name of (2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide (CID 122701425) is (2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide.
What is the SMILES notation for (2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide?
The canonical SMILES for (2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide is C[C@H](c1ncc(F)cn1)[C@H](C)S(N)(=O)=O.
What is the InChIKey of (2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide?
The InChIKey is KOHOTORNQAKCAO-WDSKDSINSA-N. The full InChI is InChI=1S/C8H12FN3O2S/c1-5(6(2)15(10,13)14)8-11-3-7(9)4-12-8/h3-6H,1-2H3,(H2,10,13,14)/t5-,6-/m0/s1.
What are the key properties of (2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide?
(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide has a molecular weight of 233.27 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide is sourced from PubChem (CID 122701425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).