(2S)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide;(2R)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide

C14H20F2N6O4S2 — CID 159694547

IUPAC(2S)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide;(2R)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide
SMILESC[C@@H](CS(N)(=O)=O)c1ncc(F)cn1.C[C@H](CS(N)(=O)=O)c1ncc(F)cn1
InChIInChI=1S/2C7H10FN3O2S/c2*1-5(4-14(9,12)13)7-10-2-6(8)3-11-7/h2*2-3,5H,4H2,1H3,(H2,9,12,13)/t2*5-/m10/s1
InChIKeyMWVMVCXQZSIGJC-JZLFTLSWSA-N
MW438.48 g/mol
LogP0.02
Rot. Bonds6

About (2S)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide;(2R)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide

(2S)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide;(2R)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide (PubChem CID 159694547) has the molecular formula C14H20F2N6O4S2 and a molecular weight of 438.48 g/mol. Its IUPAC name is (2S)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide;(2R)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide;(2R)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide
PubChem CID159694547
Molecular FormulaC14H20F2N6O4S2
Molecular Weight438.48 g/mol
Exact Mass438.10
IUPAC Name(2S)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide;(2R)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide
SMILESC[C@@H](CS(N)(=O)=O)c1ncc(F)cn1.C[C@H](CS(N)(=O)=O)c1ncc(F)cn1
InChIInChI=1S/2C7H10FN3O2S/c2*1-5(4-14(9,12)13)7-10-2-6(8)3-11-7/h2*2-3,5H,4H2,1H3,(H2,9,12,13)/t2*5-/m10/s1
InChIKeyMWVMVCXQZSIGJC-JZLFTLSWSA-N
XLogP0.02
TPSA171.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

S-[2-(5-fluoropyrimidin-2-yl)propyl]thiohydroxylamine
CID 142359365
(2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropane-1-sulfonamide
CID 134541723
(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
1-(5-fluoropyrimidin-2-yl)ethanamine
CID 50994814
5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine
CID 126560646
(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
2-(5-ethylpyrazin-2-yl)propane-1-sulfonamide
CID 142353884
ethane;3-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid
CID 142359161
5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine
CID 115750151
1-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide
CID 134541686
1-(5-fluoropyrimidin-2-yl)-N-propan-2-ylmethanesulfonamide
CID 146509533

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide;(2R)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide?
The IUPAC name of (2S)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide;(2R)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide (CID 159694547) is (2S)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide;(2R)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide.
What is the SMILES notation for (2S)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide;(2R)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide?
The canonical SMILES for (2S)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide;(2R)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide is C[C@@H](CS(N)(=O)=O)c1ncc(F)cn1.C[C@H](CS(N)(=O)=O)c1ncc(F)cn1.
What is the InChIKey of (2S)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide;(2R)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide?
The InChIKey is MWVMVCXQZSIGJC-JZLFTLSWSA-N. The full InChI is InChI=1S/2C7H10FN3O2S/c2*1-5(4-14(9,12)13)7-10-2-6(8)3-11-7/h2*2-3,5H,4H2,1H3,(H2,9,12,13)/t2*5-/m10/s1.
What are the key properties of (2S)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide;(2R)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide?
(2S)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide;(2R)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide has a molecular weight of 438.48 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide;(2R)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 159694547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).