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

C18H19ClFNO3S — CID 53089870

IUPAC3-[(2-chloro-4-fluorophenyl)methoxy]-1-(2,5-dimethylphenyl)sulfonylazetidine
SMILESCc1ccc(C)c(S(=O)(=O)N2CC(OCc3ccc(F)cc3Cl)C2)c1
InChIInChI=1S/C18H19ClFNO3S/c1-12-3-4-13(2)18(7-12)25(22,23)21-9-16(10-21)24-11-14-5-6-15(20)8-17(14)19/h3-8,16H,9-11H2,1-2H3
InChIKeyFXTUKJHQBBUGHV-UHFFFAOYSA-N
MW383.87 g/mol
LogP3.69
Rot. Bonds5

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

3-[(2-chloro-4-fluorophenyl)methoxy]-1-(2,5-dimethylphenyl)sulfonylazetidine (PubChem CID 53089870) 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-(2,5-dimethylphenyl)sulfonylazetidine.

Molecular Properties

Compound Name3-[(2-chloro-4-fluorophenyl)methoxy]-1-(2,5-dimethylphenyl)sulfonylazetidine
PubChem CID53089870
Molecular FormulaC18H19ClFNO3S
Molecular Weight383.87 g/mol
Exact Mass383.08
IUPAC Name3-[(2-chloro-4-fluorophenyl)methoxy]-1-(2,5-dimethylphenyl)sulfonylazetidine
SMILESCc1ccc(C)c(S(=O)(=O)N2CC(OCc3ccc(F)cc3Cl)C2)c1
InChIInChI=1S/C18H19ClFNO3S/c1-12-3-4-13(2)18(7-12)25(22,23)21-9-16(10-21)24-11-14-5-6-15(20)8-17(14)19/h3-8,16H,9-11H2,1-2H3
InChIKeyFXTUKJHQBBUGHV-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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Related Compounds

tert-butyl 3-[(2-chloro-4-fluorophenyl)methoxy]azetidine-1-carboxylate
CID 122199847
(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410588
(3S,4R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidine-3,4-diol
CID 71683265
1-(3-chloro-2-methylphenyl)sulfonyl-3-[(2-chlorophenyl)methoxy]azetidine
CID 46354306
1-(2,4-difluorophenyl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine
CID 53089815
4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 46452449
(3S,4S)-4-(dimethylamino)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 131921248
2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-4-methylaniline
CID 81182884
(2R,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510211
(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510214
3-(chloromethyl)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
CID 63397617
1-(2-chlorophenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 26945221

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-fluorophenyl)methoxy]-1-(2,5-dimethylphenyl)sulfonylazetidine?
The IUPAC name of 3-[(2-chloro-4-fluorophenyl)methoxy]-1-(2,5-dimethylphenyl)sulfonylazetidine (CID 53089870) is 3-[(2-chloro-4-fluorophenyl)methoxy]-1-(2,5-dimethylphenyl)sulfonylazetidine.
What is the SMILES notation for 3-[(2-chloro-4-fluorophenyl)methoxy]-1-(2,5-dimethylphenyl)sulfonylazetidine?
The canonical SMILES for 3-[(2-chloro-4-fluorophenyl)methoxy]-1-(2,5-dimethylphenyl)sulfonylazetidine is Cc1ccc(C)c(S(=O)(=O)N2CC(OCc3ccc(F)cc3Cl)C2)c1.
What is the InChIKey of 3-[(2-chloro-4-fluorophenyl)methoxy]-1-(2,5-dimethylphenyl)sulfonylazetidine?
The InChIKey is FXTUKJHQBBUGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO3S/c1-12-3-4-13(2)18(7-12)25(22,23)21-9-16(10-21)24-11-14-5-6-15(20)8-17(14)19/h3-8,16H,9-11H2,1-2H3.
What are the key properties of 3-[(2-chloro-4-fluorophenyl)methoxy]-1-(2,5-dimethylphenyl)sulfonylazetidine?
3-[(2-chloro-4-fluorophenyl)methoxy]-1-(2,5-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-(2,5-dimethylphenyl)sulfonylazetidine is sourced from PubChem (CID 53089870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).