3-[(2-chloro-4-fluorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine

C18H19ClFNO3S — CID 53089884

IUPAC3-[(2-chloro-4-fluorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine
SMILESCc1cc(C)cc(S(=O)(=O)N2CC(OCc3ccc(F)cc3Cl)C2)c1
InChIInChI=1S/C18H19ClFNO3S/c1-12-5-13(2)7-17(6-12)25(22,23)21-9-16(10-21)24-11-14-3-4-15(20)8-18(14)19/h3-8,16H,9-11H2,1-2H3
InChIKeyRONPANUIHHDFGV-UHFFFAOYSA-N
MW383.87 g/mol
LogP3.69
Rot. Bonds5

About 3-[(2-chloro-4-fluorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine

3-[(2-chloro-4-fluorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine (PubChem CID 53089884) has the molecular formula C18H19ClFNO3S and a molecular weight of 383.87 g/mol. Its IUPAC name is 3-[(2-chloro-4-fluorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine.

Molecular Properties

Compound Name3-[(2-chloro-4-fluorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine
PubChem CID53089884
Molecular FormulaC18H19ClFNO3S
Molecular Weight383.87 g/mol
Exact Mass383.08
IUPAC Name3-[(2-chloro-4-fluorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine
SMILESCc1cc(C)cc(S(=O)(=O)N2CC(OCc3ccc(F)cc3Cl)C2)c1
InChIInChI=1S/C18H19ClFNO3S/c1-12-5-13(2)7-17(6-12)25(22,23)21-9-16(10-21)24-11-14-3-4-15(20)8-18(14)19/h3-8,16H,9-11H2,1-2H3
InChIKeyRONPANUIHHDFGV-UHFFFAOYSA-N
XLogP3.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.87
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-fluorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine?
The IUPAC name of 3-[(2-chloro-4-fluorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine (CID 53089884) is 3-[(2-chloro-4-fluorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine.
What is the SMILES notation for 3-[(2-chloro-4-fluorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine?
The canonical SMILES for 3-[(2-chloro-4-fluorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine is Cc1cc(C)cc(S(=O)(=O)N2CC(OCc3ccc(F)cc3Cl)C2)c1.
What is the InChIKey of 3-[(2-chloro-4-fluorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine?
The InChIKey is RONPANUIHHDFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO3S/c1-12-5-13(2)7-17(6-12)25(22,23)21-9-16(10-21)24-11-14-3-4-15(20)8-18(14)19/h3-8,16H,9-11H2,1-2H3.
What are the key properties of 3-[(2-chloro-4-fluorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine?
3-[(2-chloro-4-fluorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine has a molecular weight of 383.87 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-fluorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine is sourced from PubChem (CID 53089884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).