3-(4-methoxyphenyl)sulfonylazetidine;hydrochloride

C10H14ClNO3S — CID 72716321

IUPAC3-(4-methoxyphenyl)sulfonylazetidine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)C2CNC2)cc1.Cl
InChIInChI=1S/C10H13NO3S.ClH/c1-14-8-2-4-9(5-3-8)15(12,13)10-6-11-7-10;/h2-5,10-11H,6-7H2,1H3;1H
InChIKeyNHIUFXIOBSWJIM-UHFFFAOYSA-N
MW263.75 g/mol
LogP0.86
Rot. Bonds3

About 3-(4-methoxyphenyl)sulfonylazetidine;hydrochloride

3-(4-methoxyphenyl)sulfonylazetidine;hydrochloride (PubChem CID 72716321) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonylazetidine;hydrochloride.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonylazetidine;hydrochloride
PubChem CID72716321
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name3-(4-methoxyphenyl)sulfonylazetidine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)C2CNC2)cc1.Cl
InChIInChI=1S/C10H13NO3S.ClH/c1-14-8-2-4-9(5-3-8)15(12,13)10-6-11-7-10;/h2-5,10-11H,6-7H2,1H3;1H
InChIKeyNHIUFXIOBSWJIM-UHFFFAOYSA-N
XLogP0.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 50.86
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;hydrochloride?
The IUPAC name of 3-(4-methoxyphenyl)sulfonylazetidine;hydrochloride (CID 72716321) is 3-(4-methoxyphenyl)sulfonylazetidine;hydrochloride.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonylazetidine;hydrochloride?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonylazetidine;hydrochloride is COc1ccc(S(=O)(=O)C2CNC2)cc1.Cl.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonylazetidine;hydrochloride?
The InChIKey is NHIUFXIOBSWJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S.ClH/c1-14-8-2-4-9(5-3-8)15(12,13)10-6-11-7-10;/h2-5,10-11H,6-7H2,1H3;1H.
What are the key properties of 3-(4-methoxyphenyl)sulfonylazetidine;hydrochloride?
3-(4-methoxyphenyl)sulfonylazetidine;hydrochloride has a molecular weight of 263.75 g/mol, XLogP of 0.86, 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;hydrochloride is sourced from PubChem (CID 72716321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).