4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide

C20H26N2O5S — CID 46666885

IUPAC4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
SMILESCOc1ccc(OC)c(C2CCCN2CCOc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C20H26N2O5S/c1-25-16-7-10-20(26-2)18(14-16)19-4-3-11-22(19)12-13-27-15-5-8-17(9-6-15)28(21,23)24/h5-10,14,19H,3-4,11-13H2,1-2H3,(H2,21,23,24)
InChIKeyWYBNDNURPUUTAA-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.57
Rot. Bonds8

About 4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide

4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide (PubChem CID 46666885) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
PubChem CID46666885
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
SMILESCOc1ccc(OC)c(C2CCCN2CCOc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C20H26N2O5S/c1-25-16-7-10-20(26-2)18(14-16)19-4-3-11-22(19)12-13-27-15-5-8-17(9-6-15)28(21,23)24/h5-10,14,19H,3-4,11-13H2,1-2H3,(H2,21,23,24)
InChIKeyWYBNDNURPUUTAA-UHFFFAOYSA-N
XLogP2.57
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 46662798
N-[3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide
CID 94795561
2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
CID 55409373
(2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
CID 9190253
(2S)-1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 26522180
2-(2,5-dimethoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrrolidine
CID 17404197
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 8833875
(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 9190208
4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide
CID 61295573
4-[2-(5-methyl-1,4-thiazepan-4-yl)ethoxy]benzenesulfonamide
CID 131960751
1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylazepane
CID 46688857
N-(cyclopentylcarbamoyl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 46671211

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide (CID 46666885) is 4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide is COc1ccc(OC)c(C2CCCN2CCOc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide?
The InChIKey is WYBNDNURPUUTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-25-16-7-10-20(26-2)18(14-16)19-4-3-11-22(19)12-13-27-15-5-8-17(9-6-15)28(21,23)24/h5-10,14,19H,3-4,11-13H2,1-2H3,(H2,21,23,24).
What are the key properties of 4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide?
4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide has a molecular weight of 406.50 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide is sourced from PubChem (CID 46666885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).