1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine

C21H17Cl2NO4S2 — CID 90595250

IUPAC1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CN(S(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C21H17Cl2NO4S2/c22-17-6-4-15(5-7-17)16-2-1-3-20(12-16)30(27,28)24-13-21(14-24)29(25,26)19-10-8-18(23)9-11-19/h1-12,21H,13-14H2
InChIKeyMMQJTRKYWWFZBQ-UHFFFAOYSA-N
MW482.41 g/mol
LogP4.51
Rot. Bonds5

About 1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine

1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine (PubChem CID 90595250) has the molecular formula C21H17Cl2NO4S2 and a molecular weight of 482.41 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
PubChem CID90595250
Molecular FormulaC21H17Cl2NO4S2
Molecular Weight482.41 g/mol
Exact Mass481.00
IUPAC Name1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CN(S(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C21H17Cl2NO4S2/c22-17-6-4-15(5-7-17)16-2-1-3-20(12-16)30(27,28)24-13-21(14-24)29(25,26)19-10-8-18(23)9-11-19/h1-12,21H,13-14H2
InChIKeyMMQJTRKYWWFZBQ-UHFFFAOYSA-N
XLogP4.51
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine
CID 90589542
1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595182
3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
CID 90595223
3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine
CID 90587938
1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593700
1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
CID 90587928
4-[1-[3-(4-chlorophenyl)phenyl]sulfonylazetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155758
3-(4-chlorophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)sulfonylazetidine
CID 90595170
3-(4-chlorophenyl)benzenesulfonyl chloride
CID 3502760
3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine
CID 90595142
1-[(2-chlorophenyl)methylsulfonyl]-3-(4-chlorophenyl)sulfonylazetidine
CID 90595184

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine?
The IUPAC name of 1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine (CID 90595250) is 1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine.
What is the SMILES notation for 1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine?
The canonical SMILES for 1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine is O=S(=O)(c1ccc(Cl)cc1)C1CN(S(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)C1.
What is the InChIKey of 1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine?
The InChIKey is MMQJTRKYWWFZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO4S2/c22-17-6-4-15(5-7-17)16-2-1-3-20(12-16)30(27,28)24-13-21(14-24)29(25,26)19-10-8-18(23)9-11-19/h1-12,21H,13-14H2.
What are the key properties of 1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine?
1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine has a molecular weight of 482.41 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine is sourced from PubChem (CID 90595250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).