3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine

C19H22ClNO5S2 — CID 90587901

IUPAC3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1C
InChIInChI=1S/C19H22ClNO5S2/c1-3-26-19-9-8-17(12-14(19)2)28(24,25)21-11-10-18(13-21)27(22,23)16-6-4-15(20)5-7-16/h4-9,12,18H,3,10-11,13H2,1-2H3
InChIKeyFZOBGNHHEIBHHO-UHFFFAOYSA-N
MW443.97 g/mol
LogP3.28
Rot. Bonds6

About 3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine

3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine (PubChem CID 90587901) has the molecular formula C19H22ClNO5S2 and a molecular weight of 443.97 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine
PubChem CID90587901
Molecular FormulaC19H22ClNO5S2
Molecular Weight443.97 g/mol
Exact Mass443.06
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1C
InChIInChI=1S/C19H22ClNO5S2/c1-3-26-19-9-8-17(12-14(19)2)28(24,25)21-11-10-18(13-21)27(22,23)16-6-4-15(20)5-7-16/h4-9,12,18H,3,10-11,13H2,1-2H3
InChIKeyFZOBGNHHEIBHHO-UHFFFAOYSA-N
XLogP3.28
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.97
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine
CID 72718850
1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
CID 90593218
1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
CID 90587928
1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine
CID 66486200
2-[(3S)-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124892680
3-(benzenesulfonyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
CID 90584959
1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595182
1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2985818
1-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]benzimidazole
CID 121193881
3-(benzenesulfonyl)-1-(2-ethoxyphenyl)sulfonylpyrrolidine
CID 71805611
1-(3-methyl-4-propoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585261
[(3S)-1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 7393870

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine (CID 90587901) is 3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine is CCOc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1C.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine?
The InChIKey is FZOBGNHHEIBHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO5S2/c1-3-26-19-9-8-17(12-14(19)2)28(24,25)21-11-10-18(13-21)27(22,23)16-6-4-15(20)5-7-16/h4-9,12,18H,3,10-11,13H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine?
3-(4-chlorophenyl)sulfonyl-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine has a molecular weight of 443.97 g/mol, XLogP of 3.28, 6 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-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 90587901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).