1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine

C15H14ClNO4S2 — CID 90595145

IUPAC1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C15H14ClNO4S2/c16-12-6-8-13(9-7-12)22(18,19)15-10-17(11-15)23(20,21)14-4-2-1-3-5-14/h1-9,15H,10-11H2
InChIKeyNNUBYFZVHJYFRH-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.19
Rot. Bonds4

About 1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine

1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine (PubChem CID 90595145) has the molecular formula C15H14ClNO4S2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
PubChem CID90595145
Molecular FormulaC15H14ClNO4S2
Molecular Weight371.87 g/mol
Exact Mass371.01
IUPAC Name1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C15H14ClNO4S2/c16-12-6-8-13(9-7-12)22(18,19)15-10-17(11-15)23(20,21)14-4-2-1-3-5-14/h1-9,15H,10-11H2
InChIKeyNNUBYFZVHJYFRH-UHFFFAOYSA-N
XLogP2.19
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595250
3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
CID 90595223
1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
CID 90587928
3-(benzenesulfonyl)-8-(4-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 90591648
1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595182
3-(4-chlorophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)sulfonylazetidine
CID 90595170
1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine
CID 154870443
3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine
CID 90595142
1-[(2-chlorophenyl)methylsulfonyl]-3-(4-chlorophenyl)sulfonylazetidine
CID 90595184
(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 97354919
1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine
CID 90594382
3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine
CID 90587938

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine?
The IUPAC name of 1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine (CID 90595145) is 1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine?
The canonical SMILES for 1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine is O=S(=O)(c1ccc(Cl)cc1)C1CN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine?
The InChIKey is NNUBYFZVHJYFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S2/c16-12-6-8-13(9-7-12)22(18,19)15-10-17(11-15)23(20,21)14-4-2-1-3-5-14/h1-9,15H,10-11H2.
What are the key properties of 1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine?
1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine has a molecular weight of 371.87 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine is sourced from PubChem (CID 90595145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).