1-(3-fluorophenyl)sulfonylazetidine

C9H10FNO2S — CID 90881036

IUPAC1-(3-fluorophenyl)sulfonylazetidine
SMILESO=S(=O)(c1cccc(F)c1)N1CCC1
InChIInChI=1S/C9H10FNO2S/c10-8-3-1-4-9(7-8)14(12,13)11-5-2-6-11/h1,3-4,7H,2,5-6H2
InChIKeyWTAPVOHHQAHTOX-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.22
Rot. Bonds2

About 1-(3-fluorophenyl)sulfonylazetidine

1-(3-fluorophenyl)sulfonylazetidine (PubChem CID 90881036) has the molecular formula C9H10FNO2S and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonylazetidine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonylazetidine
PubChem CID90881036
Molecular FormulaC9H10FNO2S
Molecular Weight215.25 g/mol
Exact Mass215.04
IUPAC Name1-(3-fluorophenyl)sulfonylazetidine
SMILESO=S(=O)(c1cccc(F)c1)N1CCC1
InChIInChI=1S/C9H10FNO2S/c10-8-3-1-4-9(7-8)14(12,13)11-5-2-6-11/h1,3-4,7H,2,5-6H2
InChIKeyWTAPVOHHQAHTOX-UHFFFAOYSA-N
XLogP1.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonylazetidine?
The IUPAC name of 1-(3-fluorophenyl)sulfonylazetidine (CID 90881036) is 1-(3-fluorophenyl)sulfonylazetidine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonylazetidine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonylazetidine is O=S(=O)(c1cccc(F)c1)N1CCC1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonylazetidine?
The InChIKey is WTAPVOHHQAHTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2S/c10-8-3-1-4-9(7-8)14(12,13)11-5-2-6-11/h1,3-4,7H,2,5-6H2.
What are the key properties of 1-(3-fluorophenyl)sulfonylazetidine?
1-(3-fluorophenyl)sulfonylazetidine has a molecular weight of 215.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonylazetidine is sourced from PubChem (CID 90881036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).