3-(4-methoxyphenyl)sulfonylazetidine

C10H13NO3S — CID 71777937

IUPAC3-(4-methoxyphenyl)sulfonylazetidine
SMILESCOc1ccc(S(=O)(=O)C2CNC2)cc1
InChIInChI=1S/C10H13NO3S/c1-14-8-2-4-9(5-3-8)15(12,13)10-6-11-7-10/h2-5,10-11H,6-7H2,1H3
InChIKeyCELQYLBVXRDQNV-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.44
Rot. Bonds3

About 3-(4-methoxyphenyl)sulfonylazetidine

3-(4-methoxyphenyl)sulfonylazetidine (PubChem CID 71777937) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonylazetidine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonylazetidine
PubChem CID71777937
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name3-(4-methoxyphenyl)sulfonylazetidine
SMILESCOc1ccc(S(=O)(=O)C2CNC2)cc1
InChIInChI=1S/C10H13NO3S/c1-14-8-2-4-9(5-3-8)15(12,13)10-6-11-7-10/h2-5,10-11H,6-7H2,1H3
InChIKeyCELQYLBVXRDQNV-UHFFFAOYSA-N
XLogP0.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonylazetidine?
The IUPAC name of 3-(4-methoxyphenyl)sulfonylazetidine (CID 71777937) is 3-(4-methoxyphenyl)sulfonylazetidine.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonylazetidine?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonylazetidine is COc1ccc(S(=O)(=O)C2CNC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonylazetidine?
The InChIKey is CELQYLBVXRDQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-14-8-2-4-9(5-3-8)15(12,13)10-6-11-7-10/h2-5,10-11H,6-7H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)sulfonylazetidine?
3-(4-methoxyphenyl)sulfonylazetidine has a molecular weight of 227.28 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfonylazetidine is sourced from PubChem (CID 71777937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).