1-(3-chloro-2-methylphenyl)sulfonyl-3-[(2-chlorophenyl)methoxy]azetidine

C17H17Cl2NO3S — CID 46354306

IUPAC1-(3-chloro-2-methylphenyl)sulfonyl-3-[(2-chlorophenyl)methoxy]azetidine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CC(OCc2ccccc2Cl)C1
InChIInChI=1S/C17H17Cl2NO3S/c1-12-15(18)7-4-8-17(12)24(21,22)20-9-14(10-20)23-11-13-5-2-3-6-16(13)19/h2-8,14H,9-11H2,1H3
InChIKeyUDROFFMHMWSNER-UHFFFAOYSA-N
MW386.30 g/mol
LogP3.89
Rot. Bonds5

About 1-(3-chloro-2-methylphenyl)sulfonyl-3-[(2-chlorophenyl)methoxy]azetidine

1-(3-chloro-2-methylphenyl)sulfonyl-3-[(2-chlorophenyl)methoxy]azetidine (PubChem CID 46354306) has the molecular formula C17H17Cl2NO3S and a molecular weight of 386.30 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)sulfonyl-3-[(2-chlorophenyl)methoxy]azetidine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)sulfonyl-3-[(2-chlorophenyl)methoxy]azetidine
PubChem CID46354306
Molecular FormulaC17H17Cl2NO3S
Molecular Weight386.30 g/mol
Exact Mass385.03
IUPAC Name1-(3-chloro-2-methylphenyl)sulfonyl-3-[(2-chlorophenyl)methoxy]azetidine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CC(OCc2ccccc2Cl)C1
InChIInChI=1S/C17H17Cl2NO3S/c1-12-15(18)7-4-8-17(12)24(21,22)20-9-14(10-20)23-11-13-5-2-3-6-16(13)19/h2-8,14H,9-11H2,1H3
InChIKeyUDROFFMHMWSNER-UHFFFAOYSA-N
XLogP3.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(2-chlorophenyl)methoxy]azetidin-1-yl]sulfonylbenzonitrile
CID 53089803
3-[(2-chlorophenyl)methoxy]-1-propan-2-ylsulfonylpiperidine
CID 46743856
2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
CID 126850669
1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
CID 11951648
2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 122247775
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354839
3-[(2-chloro-4-fluorophenyl)methoxy]-1-(2,5-dimethylphenyl)sulfonylazetidine
CID 53089870
1-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263835
2-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 121153678
1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine
CID 101248459
1-[1-(3-chloro-2-methylphenyl)sulfonylazetidin-3-yl]triazole
CID 91625250
1-(3-chloro-2-methylphenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 58702028

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)sulfonyl-3-[(2-chlorophenyl)methoxy]azetidine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)sulfonyl-3-[(2-chlorophenyl)methoxy]azetidine (CID 46354306) is 1-(3-chloro-2-methylphenyl)sulfonyl-3-[(2-chlorophenyl)methoxy]azetidine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)sulfonyl-3-[(2-chlorophenyl)methoxy]azetidine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)sulfonyl-3-[(2-chlorophenyl)methoxy]azetidine is Cc1c(Cl)cccc1S(=O)(=O)N1CC(OCc2ccccc2Cl)C1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)sulfonyl-3-[(2-chlorophenyl)methoxy]azetidine?
The InChIKey is UDROFFMHMWSNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3S/c1-12-15(18)7-4-8-17(12)24(21,22)20-9-14(10-20)23-11-13-5-2-3-6-16(13)19/h2-8,14H,9-11H2,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)sulfonyl-3-[(2-chlorophenyl)methoxy]azetidine?
1-(3-chloro-2-methylphenyl)sulfonyl-3-[(2-chlorophenyl)methoxy]azetidine has a molecular weight of 386.30 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)sulfonyl-3-[(2-chlorophenyl)methoxy]azetidine is sourced from PubChem (CID 46354306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).