1-(benzenesulfonyl)-3-fluoroazetidine

C9H10FNO2S — CID 141433694

IUPAC1-(benzenesulfonyl)-3-fluoroazetidine
SMILESO=S(=O)(c1ccccc1)N1CC(F)C1
InChIInChI=1S/C9H10FNO2S/c10-8-6-11(7-8)14(12,13)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyYPZMTONZRIKGDY-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.03
Rot. Bonds2

About 1-(benzenesulfonyl)-3-fluoroazetidine

1-(benzenesulfonyl)-3-fluoroazetidine (PubChem CID 141433694) has the molecular formula C9H10FNO2S and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-fluoroazetidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-fluoroazetidine
PubChem CID141433694
Molecular FormulaC9H10FNO2S
Molecular Weight215.25 g/mol
Exact Mass215.04
IUPAC Name1-(benzenesulfonyl)-3-fluoroazetidine
SMILESO=S(=O)(c1ccccc1)N1CC(F)C1
InChIInChI=1S/C9H10FNO2S/c10-8-6-11(7-8)14(12,13)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyYPZMTONZRIKGDY-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane
CID 77427931
3-(benzenesulfonyl)-3,7-diazabicyclo[3.3.1]nonane
CID 19044688
1,3-bis(benzenesulfonyl)imidazolidine
CID 1354022
[4-(benzenesulfonyl)-6-(hydroxymethyl)morpholin-2-yl]methanol
CID 18540374
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
3-(benzenesulfonyl)-7-(3-fluorophenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonane
CID 53164994
1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
(3aR,6aR)-5-(benzenesulfonyl)-2-(2,2-dimethylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97401958
3-fluoro-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylazetidine
CID 90391432
5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]pyridin-2-amine
CID 171388469
(3aS,6aR)-5-(benzenesulfonyl)-2-(cyclopentylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97401920
(3S)-3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine
CID 58293231

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-fluoroazetidine?
The IUPAC name of 1-(benzenesulfonyl)-3-fluoroazetidine (CID 141433694) is 1-(benzenesulfonyl)-3-fluoroazetidine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-fluoroazetidine?
The canonical SMILES for 1-(benzenesulfonyl)-3-fluoroazetidine is O=S(=O)(c1ccccc1)N1CC(F)C1.
What is the InChIKey of 1-(benzenesulfonyl)-3-fluoroazetidine?
The InChIKey is YPZMTONZRIKGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2S/c10-8-6-11(7-8)14(12,13)9-4-2-1-3-5-9/h1-5,8H,6-7H2.
What are the key properties of 1-(benzenesulfonyl)-3-fluoroazetidine?
1-(benzenesulfonyl)-3-fluoroazetidine has a molecular weight of 215.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-fluoroazetidine is sourced from PubChem (CID 141433694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).