3-[(2-chlorophenyl)methoxy]-1-(2,4,5-trimethylphenyl)sulfonylazetidine

C19H22ClNO3S — CID 46354304

IUPAC3-[(2-chlorophenyl)methoxy]-1-(2,4,5-trimethylphenyl)sulfonylazetidine
SMILESCc1cc(C)c(S(=O)(=O)N2CC(OCc3ccccc3Cl)C2)cc1C
InChIInChI=1S/C19H22ClNO3S/c1-13-8-15(3)19(9-14(13)2)25(22,23)21-10-17(11-21)24-12-16-6-4-5-7-18(16)20/h4-9,17H,10-12H2,1-3H3
InChIKeyYJZYVTPOLDBPSE-UHFFFAOYSA-N
MW379.91 g/mol
LogP3.85
Rot. Bonds5

About 3-[(2-chlorophenyl)methoxy]-1-(2,4,5-trimethylphenyl)sulfonylazetidine

3-[(2-chlorophenyl)methoxy]-1-(2,4,5-trimethylphenyl)sulfonylazetidine (PubChem CID 46354304) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-1-(2,4,5-trimethylphenyl)sulfonylazetidine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-1-(2,4,5-trimethylphenyl)sulfonylazetidine
PubChem CID46354304
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC Name3-[(2-chlorophenyl)methoxy]-1-(2,4,5-trimethylphenyl)sulfonylazetidine
SMILESCc1cc(C)c(S(=O)(=O)N2CC(OCc3ccccc3Cl)C2)cc1C
InChIInChI=1S/C19H22ClNO3S/c1-13-8-15(3)19(9-14(13)2)25(22,23)21-10-17(11-21)24-12-16-6-4-5-7-18(16)20/h4-9,17H,10-12H2,1-3H3
InChIKeyYJZYVTPOLDBPSE-UHFFFAOYSA-N
XLogP3.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-1-(2,4,5-trimethylphenyl)sulfonylazetidine?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-1-(2,4,5-trimethylphenyl)sulfonylazetidine (CID 46354304) is 3-[(2-chlorophenyl)methoxy]-1-(2,4,5-trimethylphenyl)sulfonylazetidine.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-1-(2,4,5-trimethylphenyl)sulfonylazetidine?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-1-(2,4,5-trimethylphenyl)sulfonylazetidine is Cc1cc(C)c(S(=O)(=O)N2CC(OCc3ccccc3Cl)C2)cc1C.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-1-(2,4,5-trimethylphenyl)sulfonylazetidine?
The InChIKey is YJZYVTPOLDBPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3S/c1-13-8-15(3)19(9-14(13)2)25(22,23)21-10-17(11-21)24-12-16-6-4-5-7-18(16)20/h4-9,17H,10-12H2,1-3H3.
What are the key properties of 3-[(2-chlorophenyl)methoxy]-1-(2,4,5-trimethylphenyl)sulfonylazetidine?
3-[(2-chlorophenyl)methoxy]-1-(2,4,5-trimethylphenyl)sulfonylazetidine has a molecular weight of 379.91 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]-1-(2,4,5-trimethylphenyl)sulfonylazetidine is sourced from PubChem (CID 46354304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).