1-[(2-chlorophenyl)methylsulfonyl]-3-(4-chlorophenyl)sulfonylazetidine

C16H15Cl2NO4S2 — CID 90595184

IUPAC1-[(2-chlorophenyl)methylsulfonyl]-3-(4-chlorophenyl)sulfonylazetidine
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CN(S(=O)(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C16H15Cl2NO4S2/c17-13-5-7-14(8-6-13)25(22,23)15-9-19(10-15)24(20,21)11-12-3-1-2-4-16(12)18/h1-8,15H,9-11H2
InChIKeyTXSPLJCRYHTUCY-UHFFFAOYSA-N
MW420.34 g/mol
LogP2.98
Rot. Bonds5

About 1-[(2-chlorophenyl)methylsulfonyl]-3-(4-chlorophenyl)sulfonylazetidine

1-[(2-chlorophenyl)methylsulfonyl]-3-(4-chlorophenyl)sulfonylazetidine (PubChem CID 90595184) has the molecular formula C16H15Cl2NO4S2 and a molecular weight of 420.34 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfonyl]-3-(4-chlorophenyl)sulfonylazetidine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfonyl]-3-(4-chlorophenyl)sulfonylazetidine
PubChem CID90595184
Molecular FormulaC16H15Cl2NO4S2
Molecular Weight420.34 g/mol
Exact Mass418.98
IUPAC Name1-[(2-chlorophenyl)methylsulfonyl]-3-(4-chlorophenyl)sulfonylazetidine
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CN(S(=O)(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C16H15Cl2NO4S2/c17-13-5-7-14(8-6-13)25(22,23)15-9-19(10-15)24(20,21)11-12-3-1-2-4-16(12)18/h1-8,15H,9-11H2
InChIKeyTXSPLJCRYHTUCY-UHFFFAOYSA-N
XLogP2.98
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867919
3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]azetidine
CID 90595225
1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine
CID 17257572
1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
1-[(2-chlorophenyl)methylsulfonyl]-3-methylsulfonylpyrrolidine
CID 72717812
1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine
CID 110749811
1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine
CID 119959043
(1R,5R)-3-[(2-chlorophenyl)methylsulfonyl]-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane
CID 98137737
3-[(2-chlorophenyl)methylsulfonyl]-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane
CID 46967572
3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine
CID 90595142
1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595250
(2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine
CID 41301352

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-3-(4-chlorophenyl)sulfonylazetidine?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-3-(4-chlorophenyl)sulfonylazetidine (CID 90595184) is 1-[(2-chlorophenyl)methylsulfonyl]-3-(4-chlorophenyl)sulfonylazetidine.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfonyl]-3-(4-chlorophenyl)sulfonylazetidine?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfonyl]-3-(4-chlorophenyl)sulfonylazetidine is O=S(=O)(c1ccc(Cl)cc1)C1CN(S(=O)(=O)Cc2ccccc2Cl)C1.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfonyl]-3-(4-chlorophenyl)sulfonylazetidine?
The InChIKey is TXSPLJCRYHTUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S2/c17-13-5-7-14(8-6-13)25(22,23)15-9-19(10-15)24(20,21)11-12-3-1-2-4-16(12)18/h1-8,15H,9-11H2.
What are the key properties of 1-[(2-chlorophenyl)methylsulfonyl]-3-(4-chlorophenyl)sulfonylazetidine?
1-[(2-chlorophenyl)methylsulfonyl]-3-(4-chlorophenyl)sulfonylazetidine has a molecular weight of 420.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylsulfonyl]-3-(4-chlorophenyl)sulfonylazetidine is sourced from PubChem (CID 90595184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).