1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine

C16H15F2NO5S2 — CID 90593630

IUPAC1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
SMILESCOc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3c(F)cccc3F)C2)cc1
InChIInChI=1S/C16H15F2NO5S2/c1-24-11-5-7-12(8-6-11)25(20,21)13-9-19(10-13)26(22,23)16-14(17)3-2-4-15(16)18/h2-8,13H,9-10H2,1H3
InChIKeyXRTLQCQYAOAQHR-UHFFFAOYSA-N
MW403.43 g/mol
LogP1.82
Rot. Bonds5

About 1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine

1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine (PubChem CID 90593630) has the molecular formula C16H15F2NO5S2 and a molecular weight of 403.43 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
PubChem CID90593630
Molecular FormulaC16H15F2NO5S2
Molecular Weight403.43 g/mol
Exact Mass403.04
IUPAC Name1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
SMILESCOc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3c(F)cccc3F)C2)cc1
InChIInChI=1S/C16H15F2NO5S2/c1-24-11-5-7-12(8-6-11)25(20,21)13-9-19(10-13)26(22,23)16-14(17)3-2-4-15(16)18/h2-8,13H,9-10H2,1H3
InChIKeyXRTLQCQYAOAQHR-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

3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
CID 90595223
1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593624
3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine
CID 72718913
1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 72718927
1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593644
(3S)-1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 99876889
1-(2,6-dichlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
CID 90593256
3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine
CID 90593675
5-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonyl-1H-imidazole
CID 90593680
1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
CID 90593207
1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593700
3-(4-methoxyphenyl)sulfonyl-1-(2-phenylethylsulfonyl)azetidine
CID 72718921

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine?
The IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine (CID 90593630) is 1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine.
What is the SMILES notation for 1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine?
The canonical SMILES for 1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine is COc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3c(F)cccc3F)C2)cc1.
What is the InChIKey of 1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine?
The InChIKey is XRTLQCQYAOAQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO5S2/c1-24-11-5-7-12(8-6-11)25(20,21)13-9-19(10-13)26(22,23)16-14(17)3-2-4-15(16)18/h2-8,13H,9-10H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine?
1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)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-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine is sourced from PubChem (CID 90593630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).