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

C17H18FNO5S2 — CID 90593624

IUPAC1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
SMILESCOc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3ccc(F)c(C)c3)C2)cc1
InChIInChI=1S/C17H18FNO5S2/c1-12-9-15(7-8-17(12)18)26(22,23)19-10-16(11-19)25(20,21)14-5-3-13(24-2)4-6-14/h3-9,16H,10-11H2,1-2H3
InChIKeyDRRQTQOECGXMRM-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.99
Rot. Bonds5

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

1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine (PubChem CID 90593624) has the molecular formula C17H18FNO5S2 and a molecular weight of 399.47 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
PubChem CID90593624
Molecular FormulaC17H18FNO5S2
Molecular Weight399.47 g/mol
Exact Mass399.06
IUPAC Name1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
SMILESCOc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3ccc(F)c(C)c3)C2)cc1
InChIInChI=1S/C17H18FNO5S2/c1-12-9-15(7-8-17(12)18)26(22,23)19-10-16(11-19)25(20,21)14-5-3-13(24-2)4-6-14/h3-9,16H,10-11H2,1-2H3
InChIKeyDRRQTQOECGXMRM-UHFFFAOYSA-N
XLogP1.99
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.99
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-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593644
1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593630
(2S)-4-(4-fluoro-3-methylphenyl)sulfonyl-2-(4-methoxyphenyl)-1-methylpiperazine
CID 98750168
1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
CID 90593207
1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 72718927
3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine
CID 72718913
1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595182
1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593700
3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine
CID 90595191
1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
CID 90593218
3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine
CID 90593675

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine (CID 90593624) is 1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine is COc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3ccc(F)c(C)c3)C2)cc1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine?
The InChIKey is DRRQTQOECGXMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO5S2/c1-12-9-15(7-8-17(12)18)26(22,23)19-10-16(11-19)25(20,21)14-5-3-13(24-2)4-6-14/h3-9,16H,10-11H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine?
1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine has a molecular weight of 399.47 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine is sourced from PubChem (CID 90593624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).