1-(3,4-dimethoxyphenyl)sulfonyl-3-phenylmethoxyazetidine

C18H21NO5S — CID 53089740

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-3-phenylmethoxyazetidine
SMILESCOc1ccc(S(=O)(=O)N2CC(OCc3ccccc3)C2)cc1OC
InChIInChI=1S/C18H21NO5S/c1-22-17-9-8-16(10-18(17)23-2)25(20,21)19-11-15(12-19)24-13-14-6-4-3-5-7-14/h3-10,15H,11-13H2,1-2H3
InChIKeyZAKPSFZNPVJQBM-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.29
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)sulfonyl-3-phenylmethoxyazetidine

1-(3,4-dimethoxyphenyl)sulfonyl-3-phenylmethoxyazetidine (PubChem CID 53089740) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-3-phenylmethoxyazetidine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-3-phenylmethoxyazetidine
PubChem CID53089740
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-3-phenylmethoxyazetidine
SMILESCOc1ccc(S(=O)(=O)N2CC(OCc3ccccc3)C2)cc1OC
InChIInChI=1S/C18H21NO5S/c1-22-17-9-8-16(10-18(17)23-2)25(20,21)19-11-15(12-19)24-13-14-6-4-3-5-7-14/h3-10,15H,11-13H2,1-2H3
InChIKeyZAKPSFZNPVJQBM-UHFFFAOYSA-N
XLogP2.29
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-3-phenylmethoxyazetidine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-3-phenylmethoxyazetidine (CID 53089740) is 1-(3,4-dimethoxyphenyl)sulfonyl-3-phenylmethoxyazetidine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-3-phenylmethoxyazetidine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-3-phenylmethoxyazetidine is COc1ccc(S(=O)(=O)N2CC(OCc3ccccc3)C2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-3-phenylmethoxyazetidine?
The InChIKey is ZAKPSFZNPVJQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-22-17-9-8-16(10-18(17)23-2)25(20,21)19-11-15(12-19)24-13-14-6-4-3-5-7-14/h3-10,15H,11-13H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-3-phenylmethoxyazetidine?
1-(3,4-dimethoxyphenyl)sulfonyl-3-phenylmethoxyazetidine has a molecular weight of 363.44 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-3-phenylmethoxyazetidine is sourced from PubChem (CID 53089740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).