(2R)-1-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid

C8H11FN2O3S — CID 134540996

IUPAC(2R)-1-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid
SMILESCC[C@H](Cc1ncc(F)cn1)S(=O)(=O)O
InChIInChI=1S/C8H11FN2O3S/c1-2-7(15(12,13)14)3-8-10-4-6(9)5-11-8/h4-5,7H,2-3H2,1H3,(H,12,13,14)/t7-/m1/s1
InChIKeyFIKYUTJQZMVWKW-SSDOTTSWSA-N
MW234.25 g/mol
LogP0.82
Rot. Bonds4

About (2R)-1-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid

(2R)-1-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid (PubChem CID 134540996) has the molecular formula C8H11FN2O3S and a molecular weight of 234.25 g/mol. Its IUPAC name is (2R)-1-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid.

Molecular Properties

Compound Name(2R)-1-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid
PubChem CID134540996
Molecular FormulaC8H11FN2O3S
Molecular Weight234.25 g/mol
Exact Mass234.05
IUPAC Name(2R)-1-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid
SMILESCC[C@H](Cc1ncc(F)cn1)S(=O)(=O)O
InChIInChI=1S/C8H11FN2O3S/c1-2-7(15(12,13)14)3-8-10-4-6(9)5-11-8/h4-5,7H,2-3H2,1H3,(H,12,13,14)/t7-/m1/s1
InChIKeyFIKYUTJQZMVWKW-SSDOTTSWSA-N
XLogP0.82
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (2R)-1-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide
CID 134541686
(2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonyl chloride
CID 134543066
(2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonamide
CID 134541323
5-fluoro-2-[(2R)-2-pyrimidin-2-ylsulfonylpropyl]pyrimidine
CID 163656724
ethane;3-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid
CID 142359161
1-(5-fluoropyrimidin-2-yl)-N-propan-2-ylmethanesulfonamide
CID 146509533
(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)-4-methylpentan-3-one
CID 170610136
5-fluoro-2-[(2R)-2-[[5-(furan-2-yl)-4-(2-methoxy-6-methylphenyl)-1,2,4-triazol-3-yl]methylsulfonyl]butyl]pyrimidine;5-fluoro-2-[(2S)-2-[[5-(furan-2-yl)-4-(2-methoxy-6-methylphenyl)-1,2,4-triazol-3-yl]methylsulfonyl]butyl]pyrimidine
CID 159241618
(2S)-2-[(5-fluoropyrimidin-2-yl)amino]butan-1-ol
CID 127002281
2-(4-chloroheptan-3-yl)-5-fluoropyridine
CID 112586771
tert-butyl 2-(5-fluoropyrimidin-2-yl)acetate
CID 121231620

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid?
The IUPAC name of (2R)-1-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid (CID 134540996) is (2R)-1-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid.
What is the SMILES notation for (2R)-1-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid?
The canonical SMILES for (2R)-1-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid is CC[C@H](Cc1ncc(F)cn1)S(=O)(=O)O.
What is the InChIKey of (2R)-1-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid?
The InChIKey is FIKYUTJQZMVWKW-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11FN2O3S/c1-2-7(15(12,13)14)3-8-10-4-6(9)5-11-8/h4-5,7H,2-3H2,1H3,(H,12,13,14)/t7-/m1/s1.
What are the key properties of (2R)-1-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid?
(2R)-1-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid has a molecular weight of 234.25 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid is sourced from PubChem (CID 134540996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).