3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine

C12H16ClNO4S2 — CID 90595142

IUPAC3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine
SMILESCC(C)S(=O)(=O)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClNO4S2/c1-9(2)20(17,18)14-7-12(8-14)19(15,16)11-5-3-10(13)4-6-11/h3-6,9,12H,7-8H2,1-2H3
InChIKeyZFDUIUGUKCXGDQ-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.54
Rot. Bonds4

About 3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine

3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine (PubChem CID 90595142) has the molecular formula C12H16ClNO4S2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine
PubChem CID90595142
Molecular FormulaC12H16ClNO4S2
Molecular Weight337.85 g/mol
Exact Mass337.02
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine
SMILESCC(C)S(=O)(=O)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClNO4S2/c1-9(2)20(17,18)14-7-12(8-14)19(15,16)11-5-3-10(13)4-6-11/h3-6,9,12H,7-8H2,1-2H3
InChIKeyZFDUIUGUKCXGDQ-UHFFFAOYSA-N
XLogP1.54
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
CID 90595223
1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595182
1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
CID 90587928
3-(4-chlorophenyl)sulfonyl-1-(5-chlorothiophen-2-yl)sulfonylazetidine
CID 90595170
1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine
CID 90594382
3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine
CID 90595191
1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595250
1-[(2-chlorophenyl)methylsulfonyl]-3-(4-chlorophenyl)sulfonylazetidine
CID 90595184
3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]azetidine
CID 90595225
1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593644
1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 72718927

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine (CID 90595142) is 3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine is CC(C)S(=O)(=O)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine?
The InChIKey is ZFDUIUGUKCXGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S2/c1-9(2)20(17,18)14-7-12(8-14)19(15,16)11-5-3-10(13)4-6-11/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine?
3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine has a molecular weight of 337.85 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine is sourced from PubChem (CID 90595142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).