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

C18H20ClNO3S — CID 53089776

IUPAC3-[(4-chlorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine
SMILESCc1cc(C)cc(S(=O)(=O)N2CC(OCc3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C18H20ClNO3S/c1-13-7-14(2)9-18(8-13)24(21,22)20-10-17(11-20)23-12-15-3-5-16(19)6-4-15/h3-9,17H,10-12H2,1-2H3
InChIKeyFJKDGBNNAJVFKM-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.55
Rot. Bonds5

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

3-[(4-chlorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine (PubChem CID 53089776) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine
PubChem CID53089776
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name3-[(4-chlorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine
SMILESCc1cc(C)cc(S(=O)(=O)N2CC(OCc3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C18H20ClNO3S/c1-13-7-14(2)9-18(8-13)24(21,22)20-10-17(11-20)23-12-15-3-5-16(19)6-4-15/h3-9,17H,10-12H2,1-2H3
InChIKeyFJKDGBNNAJVFKM-UHFFFAOYSA-N
XLogP3.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)methoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine
CID 53008544
3-[(3-fluoro-4-methoxyphenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine
CID 53089890
1-(4-chlorophenyl)sulfonyl-3-[(3,5-dimethoxyphenyl)methoxy]piperidine
CID 46153744
(4-chlorophenyl)-[3-[(4-methylphenyl)methoxy]azetidin-1-yl]methanone
CID 53008478
1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]propan-1-one
CID 53034672
3-phenylmethoxy-1-(2,4,5-trimethylphenyl)sulfonylazetidine
CID 53089757
3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine
CID 46029113
1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-2-methylpropan-1-one
CID 53034675
3-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine
CID 46354311
(4-chlorophenyl)methyl 4-methylbenzenesulfonate
CID 13462594
[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 53008498
5-(3,5-dimethylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213569

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine?
The IUPAC name of 3-[(4-chlorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine (CID 53089776) is 3-[(4-chlorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine?
The canonical SMILES for 3-[(4-chlorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine is Cc1cc(C)cc(S(=O)(=O)N2CC(OCc3ccc(Cl)cc3)C2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine?
The InChIKey is FJKDGBNNAJVFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-13-7-14(2)9-18(8-13)24(21,22)20-10-17(11-20)23-12-15-3-5-16(19)6-4-15/h3-9,17H,10-12H2,1-2H3.
What are the key properties of 3-[(4-chlorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine?
3-[(4-chlorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine has a molecular weight of 365.88 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine is sourced from PubChem (CID 53089776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).