2-[(4-fluorophenyl)sulfonylmethyl]azetidine

C10H12FNO2S — CID 115071066

IUPAC2-[(4-fluorophenyl)sulfonylmethyl]azetidine
SMILESO=S(=O)(CC1CCN1)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO2S/c11-8-1-3-10(4-2-8)15(13,14)7-9-5-6-12-9/h1-4,9,12H,5-7H2
InChIKeyVVEANYYLISPWIU-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.96
Rot. Bonds3

About 2-[(4-fluorophenyl)sulfonylmethyl]azetidine

2-[(4-fluorophenyl)sulfonylmethyl]azetidine (PubChem CID 115071066) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylmethyl]azetidine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylmethyl]azetidine
PubChem CID115071066
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name2-[(4-fluorophenyl)sulfonylmethyl]azetidine
SMILESO=S(=O)(CC1CCN1)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO2S/c11-8-1-3-10(4-2-8)15(13,14)7-9-5-6-12-9/h1-4,9,12H,5-7H2
InChIKeyVVEANYYLISPWIU-UHFFFAOYSA-N
XLogP0.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(pyrrolidin-2-ylmethylsulfonyl)phenol
CID 84702717
(2S)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine
CID 42263000
(2R)-2-[(4-chlorophenyl)sulfonylmethyl]pyrrolidine
CID 86310736
[4-[(4-fluorophenyl)sulfonylmethyl]cyclohexyl]methanamine;hydrochloride
CID 166176148
2-[(3-bromophenyl)sulfonylmethyl]azetidine
CID 115071054
(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine
CID 97301336
(2S)-2-[(4-methoxyphenyl)sulfonylmethyl]pyrrolidine
CID 42263004
2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine
CID 112741662
2-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]azetidine
CID 115071057
(3S)-3-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 174917383
(2R,4R)-4-bromo-2-[(4-fluorophenyl)sulfonylmethyl]oxolane
CID 86750318
(4R)-4-(benzenesulfonylmethyl)azetidin-2-one
CID 139898279

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylmethyl]azetidine?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylmethyl]azetidine (CID 115071066) is 2-[(4-fluorophenyl)sulfonylmethyl]azetidine.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylmethyl]azetidine?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylmethyl]azetidine is O=S(=O)(CC1CCN1)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylmethyl]azetidine?
The InChIKey is VVEANYYLISPWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c11-8-1-3-10(4-2-8)15(13,14)7-9-5-6-12-9/h1-4,9,12H,5-7H2.
What are the key properties of 2-[(4-fluorophenyl)sulfonylmethyl]azetidine?
2-[(4-fluorophenyl)sulfonylmethyl]azetidine has a molecular weight of 229.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylmethyl]azetidine is sourced from PubChem (CID 115071066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).