3-phenylmethoxy-1-(2,4,5-trimethylphenyl)sulfonylazetidine

C19H23NO3S — CID 53089757

IUPAC3-phenylmethoxy-1-(2,4,5-trimethylphenyl)sulfonylazetidine
SMILESCc1cc(C)c(S(=O)(=O)N2CC(OCc3ccccc3)C2)cc1C
InChIInChI=1S/C19H23NO3S/c1-14-9-16(3)19(10-15(14)2)24(21,22)20-11-18(12-20)23-13-17-7-5-4-6-8-17/h4-10,18H,11-13H2,1-3H3
InChIKeyTZRQCZQIEMEPOU-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.20
Rot. Bonds5

About 3-phenylmethoxy-1-(2,4,5-trimethylphenyl)sulfonylazetidine

3-phenylmethoxy-1-(2,4,5-trimethylphenyl)sulfonylazetidine (PubChem CID 53089757) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 3-phenylmethoxy-1-(2,4,5-trimethylphenyl)sulfonylazetidine.

Molecular Properties

Compound Name3-phenylmethoxy-1-(2,4,5-trimethylphenyl)sulfonylazetidine
PubChem CID53089757
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name3-phenylmethoxy-1-(2,4,5-trimethylphenyl)sulfonylazetidine
SMILESCc1cc(C)c(S(=O)(=O)N2CC(OCc3ccccc3)C2)cc1C
InChIInChI=1S/C19H23NO3S/c1-14-9-16(3)19(10-15(14)2)24(21,22)20-11-18(12-20)23-13-17-7-5-4-6-8-17/h4-10,18H,11-13H2,1-3H3
InChIKeyTZRQCZQIEMEPOU-UHFFFAOYSA-N
XLogP3.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-phenylmethoxy-1-(2,4,5-trimethylphenyl)sulfonylazetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-Chlorophenyl)methoxy]-1-(2,4,5-trimethylbenzenesulfonyl)azetidine
CID 46354304
4-Methylbenzenesulfonic acid;3-[[2-methyl-4-(trifluoromethyl)phenyl]methoxy]azetidine
CID 130475856
(2S)-2-(4-fluorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine
CID 40000027
(2R)-2-(4-fluorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine
CID 40000028
2-(4-Fluorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylmorpholine
CID 42949942
3-[(4-Fluorophenyl)methoxy]-1-(2,4,6-trimethylphenyl)sulfonylazetidine
CID 46354285
3-[(4-Fluorophenyl)methoxy]-1-(2-methylphenyl)sulfonylazetidine
CID 46354286
1-[(2,5-Dimethylphenyl)sulfonyl]-3-[(4-fluorobenzyl)oxy]azetane
CID 46354288
3-[(2-Fluorophenyl)methoxy]-1-(2,4,6-trimethylphenyl)sulfonylazetidine
CID 46354309
3-[(2-Fluorobenzyl)oxy]-1-[(4-methylphenyl)sulfonyl]azetane
CID 46354311
3-[(2-Fluorophenyl)methoxy]-1-(2-methylbenzenesulfonyl)azetidine
CID 46354315
1-[(2,5-Dimethylphenyl)sulfonyl]-3-[(2-fluorobenzyl)oxy]azetane
CID 46354317

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-1-(2,4,5-trimethylphenyl)sulfonylazetidine?
The IUPAC name of 3-phenylmethoxy-1-(2,4,5-trimethylphenyl)sulfonylazetidine (CID 53089757) is 3-phenylmethoxy-1-(2,4,5-trimethylphenyl)sulfonylazetidine.
What is the SMILES notation for 3-phenylmethoxy-1-(2,4,5-trimethylphenyl)sulfonylazetidine?
The canonical SMILES for 3-phenylmethoxy-1-(2,4,5-trimethylphenyl)sulfonylazetidine is Cc1cc(C)c(S(=O)(=O)N2CC(OCc3ccccc3)C2)cc1C.
What is the InChIKey of 3-phenylmethoxy-1-(2,4,5-trimethylphenyl)sulfonylazetidine?
The InChIKey is TZRQCZQIEMEPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14-9-16(3)19(10-15(14)2)24(21,22)20-11-18(12-20)23-13-17-7-5-4-6-8-17/h4-10,18H,11-13H2,1-3H3.
What are the key properties of 3-phenylmethoxy-1-(2,4,5-trimethylphenyl)sulfonylazetidine?
3-phenylmethoxy-1-(2,4,5-trimethylphenyl)sulfonylazetidine has a molecular weight of 345.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-1-(2,4,5-trimethylphenyl)sulfonylazetidine is sourced from PubChem (CID 53089757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).