1-(2,4-difluorophenyl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine

C16H14F3NO3S — CID 53089815

IUPAC1-(2,4-difluorophenyl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CC(OCc2ccccc2F)C1
InChIInChI=1S/C16H14F3NO3S/c17-12-5-6-16(15(19)7-12)24(21,22)20-8-13(9-20)23-10-11-3-1-2-4-14(11)18/h1-7,13H,8-10H2
InChIKeyNCNLFQHDVBJPEH-UHFFFAOYSA-N
MW357.35 g/mol
LogP2.69
Rot. Bonds5

About 1-(2,4-difluorophenyl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine

1-(2,4-difluorophenyl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine (PubChem CID 53089815) has the molecular formula C16H14F3NO3S and a molecular weight of 357.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine
PubChem CID53089815
Molecular FormulaC16H14F3NO3S
Molecular Weight357.35 g/mol
Exact Mass357.06
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CC(OCc2ccccc2F)C1
InChIInChI=1S/C16H14F3NO3S/c17-12-5-6-16(15(19)7-12)24(21,22)20-8-13(9-20)23-10-11-3-1-2-4-14(11)18/h1-7,13H,8-10H2
InChIKeyNCNLFQHDVBJPEH-UHFFFAOYSA-N
XLogP2.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine
CID 53008553
3-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine
CID 46354311
3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
CID 121197755
(3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 2409021
3-[(2-chloro-4-fluorophenyl)methoxy]-1-(2,5-dimethylphenyl)sulfonylazetidine
CID 53089870
4-(2-chloroethoxy)-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 82689238
3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine
CID 53089711
1-(2,4-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585524
3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
CID 63400627
1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 8771334
2-[1-(2,4-difluorophenyl)sulfonylazetidin-3-yl]oxy-5-(trifluoromethyl)pyridine
CID 122247754
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine (CID 53089815) is 1-(2,4-difluorophenyl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine is O=S(=O)(c1ccc(F)cc1F)N1CC(OCc2ccccc2F)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine?
The InChIKey is NCNLFQHDVBJPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3S/c17-12-5-6-16(15(19)7-12)24(21,22)20-8-13(9-20)23-10-11-3-1-2-4-14(11)18/h1-7,13H,8-10H2.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine?
1-(2,4-difluorophenyl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine has a molecular weight of 357.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine is sourced from PubChem (CID 53089815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).