1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine

C16H15F2NO5S2 — CID 90593207

IUPAC1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
SMILESCOc1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)cc1F
InChIInChI=1S/C16H15F2NO5S2/c1-24-16-7-6-13(8-15(16)18)26(22,23)19-9-14(10-19)25(20,21)12-4-2-11(17)3-5-12/h2-8,14H,9-10H2,1H3
InChIKeyKJJHOIIGCGDDLT-UHFFFAOYSA-N
MW403.43 g/mol
LogP1.82
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine

1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine (PubChem CID 90593207) has the molecular formula C16H15F2NO5S2 and a molecular weight of 403.43 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
PubChem CID90593207
Molecular FormulaC16H15F2NO5S2
Molecular Weight403.43 g/mol
Exact Mass403.04
IUPAC Name1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
SMILESCOc1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)cc1F
InChIInChI=1S/C16H15F2NO5S2/c1-24-16-7-6-13(8-15(16)18)26(22,23)19-9-14(10-19)25(20,21)12-4-2-11(17)3-5-12/h2-8,14H,9-10H2,1H3
InChIKeyKJJHOIIGCGDDLT-UHFFFAOYSA-N
XLogP1.82
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
CID 90593218
1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593624
3-(4-fluorophenyl)sulfonyl-1-(2,3,5,6-tetramethylphenyl)sulfonylazetidine
CID 90593214
1-(3-fluoro-4-methoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 110818979
(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993531
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 93217043
1-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]triazole
CID 121154938
2-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 120583978
1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 72718927
1-ethyl-4-(3-fluoro-4-methoxyphenyl)sulfonylpiperazine
CID 39730317
3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine
CID 90595191
methyl 1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidine-3-carboxylate
CID 112732193

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine (CID 90593207) is 1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine is COc1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine?
The InChIKey is KJJHOIIGCGDDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO5S2/c1-24-16-7-6-13(8-15(16)18)26(22,23)19-9-14(10-19)25(20,21)12-4-2-11(17)3-5-12/h2-8,14H,9-10H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine?
1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine has a molecular weight of 403.43 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine is sourced from PubChem (CID 90593207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).