3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide

C8H12FN3O2S — CID 122701792

IUPAC3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide
SMILESCC(c1ncc(F)cn1)C(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)
InChIKeyKOHOTORNQAKCAO-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.40
Rot. Bonds3

About 3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide

3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide (PubChem CID 122701792) has the molecular formula C8H12FN3O2S and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide.

Molecular Properties

Compound Name3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide
PubChem CID122701792
Molecular FormulaC8H12FN3O2S
Molecular Weight233.27 g/mol
Exact Mass233.06
IUPAC Name3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide
SMILESCC(c1ncc(F)cn1)C(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)
InChIKeyKOHOTORNQAKCAO-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide?
The IUPAC name of 3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide (CID 122701792) is 3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide.
What is the SMILES notation for 3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide?
The canonical SMILES for 3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide is CC(c1ncc(F)cn1)C(C)S(N)(=O)=O.
What is the InChIKey of 3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide?
The InChIKey is KOHOTORNQAKCAO-UHFFFAOYSA-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).
What are the key properties of 3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide?
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 3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide is sourced from PubChem (CID 122701792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).