1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine

C22H19Cl2NO5S2 — CID 90593700

IUPAC1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
SMILESCOc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)C2)cc1
InChIInChI=1S/C22H19Cl2NO5S2/c1-30-17-5-9-18(10-6-17)31(26,27)20-13-25(14-20)32(28,29)19-7-2-15(3-8-19)16-4-11-21(23)22(24)12-16/h2-12,20H,13-14H2,1H3
InChIKeyJIMIRSQSPSRWPU-UHFFFAOYSA-N
MW512.44 g/mol
LogP4.52
Rot. Bonds6

About 1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine

1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine (PubChem CID 90593700) has the molecular formula C22H19Cl2NO5S2 and a molecular weight of 512.44 g/mol. Its IUPAC name is 1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine.

Molecular Properties

Compound Name1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
PubChem CID90593700
Molecular FormulaC22H19Cl2NO5S2
Molecular Weight512.44 g/mol
Exact Mass511.01
IUPAC Name1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
SMILESCOc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)C2)cc1
InChIInChI=1S/C22H19Cl2NO5S2/c1-30-17-5-9-18(10-6-17)31(26,27)20-13-25(14-20)32(28,29)19-7-2-15(3-8-19)16-4-11-21(23)22(24)12-16/h2-12,20H,13-14H2,1H3
InChIKeyJIMIRSQSPSRWPU-UHFFFAOYSA-N
XLogP4.52
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.44
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
CID 90595223
4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
CID 90592085
1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 72718927
1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593644
3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine
CID 72718913
1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593624
1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595250
1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593630
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
5-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonyl-1H-imidazole
CID 90593680
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-methoxyphenyl)sulfonylpiperidine
CID 90592088
3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine
CID 90593675

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine?
The IUPAC name of 1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine (CID 90593700) is 1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine.
What is the SMILES notation for 1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine?
The canonical SMILES for 1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine is COc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)C2)cc1.
What is the InChIKey of 1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine?
The InChIKey is JIMIRSQSPSRWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2NO5S2/c1-30-17-5-9-18(10-6-17)31(26,27)20-13-25(14-20)32(28,29)19-7-2-15(3-8-19)16-4-11-21(23)22(24)12-16/h2-12,20H,13-14H2,1H3.
What are the key properties of 1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine?
1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine has a molecular weight of 512.44 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine is sourced from PubChem (CID 90593700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).