1-(4-fluorophenyl)sulfonyl-3-methylazetidine

C10H12FNO2S — CID 59158129

IUPAC1-(4-fluorophenyl)sulfonyl-3-methylazetidine
SMILESCC1CN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C10H12FNO2S/c1-8-6-12(7-8)15(13,14)10-4-2-9(11)3-5-10/h2-5,8H,6-7H2,1H3
InChIKeyYGQUMYYBNYJTQJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.47
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonyl-3-methylazetidine

1-(4-fluorophenyl)sulfonyl-3-methylazetidine (PubChem CID 59158129) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-methylazetidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-methylazetidine
PubChem CID59158129
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-methylazetidine
SMILESCC1CN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C10H12FNO2S/c1-8-6-12(7-8)15(13,14)10-4-2-9(11)3-5-10/h2-5,8H,6-7H2,1H3
InChIKeyYGQUMYYBNYJTQJ-UHFFFAOYSA-N
XLogP1.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-methylazetidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-methylazetidine (CID 59158129) is 1-(4-fluorophenyl)sulfonyl-3-methylazetidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-methylazetidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-methylazetidine is CC1CN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-methylazetidine?
The InChIKey is YGQUMYYBNYJTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-8-6-12(7-8)15(13,14)10-4-2-9(11)3-5-10/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-methylazetidine?
1-(4-fluorophenyl)sulfonyl-3-methylazetidine has a molecular weight of 229.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3-methylazetidine is sourced from PubChem (CID 59158129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).