3-(4-chlorophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)sulfonylazetidine

C13H11Cl2NO4S3 — CID 90595170

IUPAC3-(4-chlorophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)sulfonylazetidine
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CN(S(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C13H11Cl2NO4S3/c14-9-1-3-10(4-2-9)22(17,18)11-7-16(8-11)23(19,20)13-6-5-12(15)21-13/h1-6,11H,7-8H2
InChIKeyBEOWGWUOROAPGU-UHFFFAOYSA-N
MW412.34 g/mol
LogP2.90
Rot. Bonds4

About 3-(4-chlorophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)sulfonylazetidine

3-(4-chlorophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)sulfonylazetidine (PubChem CID 90595170) has the molecular formula C13H11Cl2NO4S3 and a molecular weight of 412.34 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)sulfonylazetidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)sulfonylazetidine
PubChem CID90595170
Molecular FormulaC13H11Cl2NO4S3
Molecular Weight412.34 g/mol
Exact Mass410.92
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)sulfonylazetidine
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CN(S(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C13H11Cl2NO4S3/c14-9-1-3-10(4-2-9)22(17,18)11-7-16(8-11)23(19,20)13-6-5-12(15)21-13/h1-6,11H,7-8H2
InChIKeyBEOWGWUOROAPGU-UHFFFAOYSA-N
XLogP2.90
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584698
3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
CID 90595223
1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595182
3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine
CID 90595142
1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
CID 90587928
1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595250
3-(4-chlorophenyl)sulfonyl-1-thiophen-2-ylsulfonylpyrrolidine
CID 90587859
3-(benzenesulfonyl)-8-(5-chlorothiophen-2-yl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 90591603
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 18273497
3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine
CID 90595191

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)sulfonylazetidine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)sulfonylazetidine (CID 90595170) is 3-(4-chlorophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)sulfonylazetidine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)sulfonylazetidine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)sulfonylazetidine is O=S(=O)(c1ccc(Cl)cc1)C1CN(S(=O)(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)sulfonylazetidine?
The InChIKey is BEOWGWUOROAPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO4S3/c14-9-1-3-10(4-2-9)22(17,18)11-7-16(8-11)23(19,20)13-6-5-12(15)21-13/h1-6,11H,7-8H2.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)sulfonylazetidine?
3-(4-chlorophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)sulfonylazetidine has a molecular weight of 412.34 g/mol, XLogP of 2.90, 4 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-(5-chlorothiophen-2-yl)sulfonylazetidine is sourced from PubChem (CID 90595170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).