1-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide

C8H12FN3O2S — CID 134541686

IUPAC1-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide
SMILESCCC(Cc1ncc(F)cn1)S(N)(=O)=O
InChIInChI=1S/C8H12FN3O2S/c1-2-7(15(10,13)14)3-8-11-4-6(9)5-12-8/h4-5,7H,2-3H2,1H3,(H2,10,13,14)
InChIKeyCDZQGMGFKDBDOW-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.23
Rot. Bonds4

About 1-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide

1-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide (PubChem CID 134541686) has the molecular formula C8H12FN3O2S and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide
PubChem CID134541686
Molecular FormulaC8H12FN3O2S
Molecular Weight233.27 g/mol
Exact Mass233.06
IUPAC Name1-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide
SMILESCCC(Cc1ncc(F)cn1)S(N)(=O)=O
InChIInChI=1S/C8H12FN3O2S/c1-2-7(15(10,13)14)3-8-11-4-6(9)5-12-8/h4-5,7H,2-3H2,1H3,(H2,10,13,14)
InChIKeyCDZQGMGFKDBDOW-UHFFFAOYSA-N
XLogP0.23
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide (CID 134541686) is 1-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide is CCC(Cc1ncc(F)cn1)S(N)(=O)=O.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide?
The InChIKey is CDZQGMGFKDBDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2S/c1-2-7(15(10,13)14)3-8-11-4-6(9)5-12-8/h4-5,7H,2-3H2,1H3,(H2,10,13,14).
What are the key properties of 1-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide?
1-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide has a molecular weight of 233.27 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide is sourced from PubChem (CID 134541686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).