3-(4-chlorophenyl)sulfonyl-1-(2-phenoxyethylsulfonyl)pyrrolidine

C18H20ClNO5S2 — CID 71806043

IUPAC3-(4-chlorophenyl)sulfonyl-1-(2-phenoxyethylsulfonyl)pyrrolidine
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)CCOc2ccccc2)C1
InChIInChI=1S/C18H20ClNO5S2/c19-15-6-8-17(9-7-15)27(23,24)18-10-11-20(14-18)26(21,22)13-12-25-16-4-2-1-3-5-16/h1-9,18H,10-14H2
InChIKeyJUAQJBFGZFPECM-UHFFFAOYSA-N
MW429.95 g/mol
LogP2.60
Rot. Bonds7

About 3-(4-chlorophenyl)sulfonyl-1-(2-phenoxyethylsulfonyl)pyrrolidine

3-(4-chlorophenyl)sulfonyl-1-(2-phenoxyethylsulfonyl)pyrrolidine (PubChem CID 71806043) has the molecular formula C18H20ClNO5S2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-(2-phenoxyethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-(2-phenoxyethylsulfonyl)pyrrolidine
PubChem CID71806043
Molecular FormulaC18H20ClNO5S2
Molecular Weight429.95 g/mol
Exact Mass429.05
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-(2-phenoxyethylsulfonyl)pyrrolidine
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)CCOc2ccccc2)C1
InChIInChI=1S/C18H20ClNO5S2/c19-15-6-8-17(9-7-15)27(23,24)18-10-11-20(14-18)26(21,22)13-12-25-16-4-2-1-3-5-16/h1-9,18H,10-14H2
InChIKeyJUAQJBFGZFPECM-UHFFFAOYSA-N
XLogP2.60
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
CID 90587928
3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]pyrrolidine
CID 90587931
1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine
CID 56764843
1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
3-(4-chlorophenyl)sulfonyl-1-thiophen-2-ylsulfonylpyrrolidine
CID 90587859
1-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]-4-phenyltriazole
CID 121150232
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine
CID 39746922
4-(2-phenoxyethylsulfonyl)-7-phenyl-1,4-thiazepane
CID 90629665
3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine
CID 90587901
3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine
CID 91627446
3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine
CID 90587938
1-(4-chlorophenyl)sulfonyl-N-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 2470101

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-(2-phenoxyethylsulfonyl)pyrrolidine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-(2-phenoxyethylsulfonyl)pyrrolidine (CID 71806043) is 3-(4-chlorophenyl)sulfonyl-1-(2-phenoxyethylsulfonyl)pyrrolidine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-(2-phenoxyethylsulfonyl)pyrrolidine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-(2-phenoxyethylsulfonyl)pyrrolidine is O=S(=O)(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)CCOc2ccccc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-(2-phenoxyethylsulfonyl)pyrrolidine?
The InChIKey is JUAQJBFGZFPECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO5S2/c19-15-6-8-17(9-7-15)27(23,24)18-10-11-20(14-18)26(21,22)13-12-25-16-4-2-1-3-5-16/h1-9,18H,10-14H2.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-(2-phenoxyethylsulfonyl)pyrrolidine?
3-(4-chlorophenyl)sulfonyl-1-(2-phenoxyethylsulfonyl)pyrrolidine has a molecular weight of 429.95 g/mol, XLogP of 2.60, 7 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-(2-phenoxyethylsulfonyl)pyrrolidine is sourced from PubChem (CID 71806043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).