3-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonylpyridine

C15H16N2O5S2 — CID 72718915

IUPAC3-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonylpyridine
SMILESCOc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3cccnc3)C2)cc1
InChIInChI=1S/C15H16N2O5S2/c1-22-12-4-6-13(7-5-12)23(18,19)15-10-17(11-15)24(20,21)14-3-2-8-16-9-14/h2-9,15H,10-11H2,1H3
InChIKeyBBJOSZPSQIEFPF-UHFFFAOYSA-N
MW368.44 g/mol
LogP0.94
Rot. Bonds5

About 3-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonylpyridine

3-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonylpyridine (PubChem CID 72718915) has the molecular formula C15H16N2O5S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonylpyridine
PubChem CID72718915
Molecular FormulaC15H16N2O5S2
Molecular Weight368.44 g/mol
Exact Mass368.05
IUPAC Name3-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonylpyridine
SMILESCOc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3cccnc3)C2)cc1
InChIInChI=1S/C15H16N2O5S2/c1-22-12-4-6-13(7-5-12)23(18,19)15-10-17(11-15)24(20,21)14-3-2-8-16-9-14/h2-9,15H,10-11H2,1H3
InChIKeyBBJOSZPSQIEFPF-UHFFFAOYSA-N
XLogP0.94
TPSA93.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonylpyridine?
The IUPAC name of 3-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonylpyridine (CID 72718915) is 3-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonylpyridine?
The canonical SMILES for 3-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonylpyridine is COc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3cccnc3)C2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonylpyridine?
The InChIKey is BBJOSZPSQIEFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S2/c1-22-12-4-6-13(7-5-12)23(18,19)15-10-17(11-15)24(20,21)14-3-2-8-16-9-14/h2-9,15H,10-11H2,1H3.
What are the key properties of 3-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonylpyridine?
3-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonylpyridine has a molecular weight of 368.44 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 72718915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).