3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine

C16H16ClNO5S2 — CID 90595223

IUPAC3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
SMILESCOc1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C16H16ClNO5S2/c1-23-13-4-8-15(9-5-13)25(21,22)18-10-16(11-18)24(19,20)14-6-2-12(17)3-7-14/h2-9,16H,10-11H2,1H3
InChIKeyVOCWSYIJHUAHIY-UHFFFAOYSA-N
MW401.89 g/mol
LogP2.20
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine

3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine (PubChem CID 90595223) has the molecular formula C16H16ClNO5S2 and a molecular weight of 401.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
PubChem CID90595223
Molecular FormulaC16H16ClNO5S2
Molecular Weight401.89 g/mol
Exact Mass401.02
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
SMILESCOc1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C16H16ClNO5S2/c1-23-13-4-8-15(9-5-13)25(21,22)18-10-16(11-18)24(19,20)14-6-2-12(17)3-7-14/h2-9,16H,10-11H2,1H3
InChIKeyVOCWSYIJHUAHIY-UHFFFAOYSA-N
XLogP2.20
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 72718927
1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593700
1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593644
1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593624
1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine
CID 72718913
1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593630
3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine
CID 90595191
(E)-3-(4-chlorophenyl)-1-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]prop-2-en-1-one
CID 90593471
1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595182
1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
CID 90587928
3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine
CID 90593675

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine (CID 90595223) is 3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine is COc1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine?
The InChIKey is VOCWSYIJHUAHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO5S2/c1-23-13-4-8-15(9-5-13)25(21,22)18-10-16(11-18)24(19,20)14-6-2-12(17)3-7-14/h2-9,16H,10-11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine?
3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine has a molecular weight of 401.89 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine is sourced from PubChem (CID 90595223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).