1-propylimidazole-2-sulfonyl fluoride

C6H9FN2O2S — CID 155820087

IUPAC1-propylimidazole-2-sulfonyl fluoride
SMILESCCCn1ccnc1S(=O)(=O)F
InChIInChI=1S/C6H9FN2O2S/c1-2-4-9-5-3-8-6(9)12(7,10)11/h3,5H,2,4H2,1H3
InChIKeyFKZDWXOZFUVPAZ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.95
Rot. Bonds3

About 1-propylimidazole-2-sulfonyl fluoride

1-propylimidazole-2-sulfonyl fluoride (PubChem CID 155820087) has the molecular formula C6H9FN2O2S and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-propylimidazole-2-sulfonyl fluoride.

Molecular Properties

Compound Name1-propylimidazole-2-sulfonyl fluoride
PubChem CID155820087
Molecular FormulaC6H9FN2O2S
Molecular Weight192.22 g/mol
Exact Mass192.04
IUPAC Name1-propylimidazole-2-sulfonyl fluoride
SMILESCCCn1ccnc1S(=O)(=O)F
InChIInChI=1S/C6H9FN2O2S/c1-2-4-9-5-3-8-6(9)12(7,10)11/h3,5H,2,4H2,1H3
InChIKeyFKZDWXOZFUVPAZ-UHFFFAOYSA-N
XLogP0.95
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propylimidazole-2-sulfonyl fluoride?
The IUPAC name of 1-propylimidazole-2-sulfonyl fluoride (CID 155820087) is 1-propylimidazole-2-sulfonyl fluoride.
What is the SMILES notation for 1-propylimidazole-2-sulfonyl fluoride?
The canonical SMILES for 1-propylimidazole-2-sulfonyl fluoride is CCCn1ccnc1S(=O)(=O)F.
What is the InChIKey of 1-propylimidazole-2-sulfonyl fluoride?
The InChIKey is FKZDWXOZFUVPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O2S/c1-2-4-9-5-3-8-6(9)12(7,10)11/h3,5H,2,4H2,1H3.
What are the key properties of 1-propylimidazole-2-sulfonyl fluoride?
1-propylimidazole-2-sulfonyl fluoride has a molecular weight of 192.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylimidazole-2-sulfonyl fluoride is sourced from PubChem (CID 155820087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).