1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine

C16H15Cl2NO4S2 — CID 90595182

IUPAC1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
SMILESCc1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1Cl
InChIInChI=1S/C16H15Cl2NO4S2/c1-11-2-5-14(8-16(11)18)25(22,23)19-9-15(10-19)24(20,21)13-6-3-12(17)4-7-13/h2-8,15H,9-10H2,1H3
InChIKeyFXRKUCDPAOAYKP-UHFFFAOYSA-N
MW420.34 g/mol
LogP3.15
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine

1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine (PubChem CID 90595182) has the molecular formula C16H15Cl2NO4S2 and a molecular weight of 420.34 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
PubChem CID90595182
Molecular FormulaC16H15Cl2NO4S2
Molecular Weight420.34 g/mol
Exact Mass418.98
IUPAC Name1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
SMILESCc1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1Cl
InChIInChI=1S/C16H15Cl2NO4S2/c1-11-2-5-14(8-16(11)18)25(22,23)19-9-15(10-19)24(20,21)13-6-3-12(17)4-7-13/h2-8,15H,9-10H2,1H3
InChIKeyFXRKUCDPAOAYKP-UHFFFAOYSA-N
XLogP3.15
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine
CID 90589474
2-(3-chloro-4-methylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867913
1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595250
3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine
CID 90595191
3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
CID 90595223
(3aS,6aR)-5-(3-chloro-4-methylphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665823
1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
CID 90587928
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-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine
CID 121187216
3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine
CID 90587901

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine (CID 90595182) is 1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine is Cc1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine?
The InChIKey is FXRKUCDPAOAYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S2/c1-11-2-5-14(8-16(11)18)25(22,23)19-9-15(10-19)24(20,21)13-6-3-12(17)4-7-13/h2-8,15H,9-10H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine?
1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine has a molecular weight of 420.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine is sourced from PubChem (CID 90595182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).