1-(benzenesulfonyl)-3,3-difluoroazetidine

C9H9F2NO2S — CID 129238574

IUPAC1-(benzenesulfonyl)-3,3-difluoroazetidine
SMILESO=S(=O)(c1ccccc1)N1CC(F)(F)C1
InChIInChI=1S/C9H9F2NO2S/c10-9(11)6-12(7-9)15(13,14)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyJIYUDXUKSGJNIC-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.33
Rot. Bonds2

About 1-(benzenesulfonyl)-3,3-difluoroazetidine

1-(benzenesulfonyl)-3,3-difluoroazetidine (PubChem CID 129238574) has the molecular formula C9H9F2NO2S and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3,3-difluoroazetidine
PubChem CID129238574
Molecular FormulaC9H9F2NO2S
Molecular Weight233.24 g/mol
Exact Mass233.03
IUPAC Name1-(benzenesulfonyl)-3,3-difluoroazetidine
SMILESO=S(=O)(c1ccccc1)N1CC(F)(F)C1
InChIInChI=1S/C9H9F2NO2S/c10-9(11)6-12(7-9)15(13,14)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyJIYUDXUKSGJNIC-UHFFFAOYSA-N
XLogP1.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3,3-difluoroazetidine?
The IUPAC name of 1-(benzenesulfonyl)-3,3-difluoroazetidine (CID 129238574) is 1-(benzenesulfonyl)-3,3-difluoroazetidine.
What is the SMILES notation for 1-(benzenesulfonyl)-3,3-difluoroazetidine?
The canonical SMILES for 1-(benzenesulfonyl)-3,3-difluoroazetidine is O=S(=O)(c1ccccc1)N1CC(F)(F)C1.
What is the InChIKey of 1-(benzenesulfonyl)-3,3-difluoroazetidine?
The InChIKey is JIYUDXUKSGJNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2S/c10-9(11)6-12(7-9)15(13,14)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 1-(benzenesulfonyl)-3,3-difluoroazetidine?
1-(benzenesulfonyl)-3,3-difluoroazetidine has a molecular weight of 233.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3,3-difluoroazetidine is sourced from PubChem (CID 129238574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).