4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide

C20H26N2O4S — CID 46662798

IUPAC4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
SMILESCCOc1ccc(C2CCCN2CCOc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-2-25-17-7-5-16(6-8-17)20-4-3-13-22(20)14-15-26-18-9-11-19(12-10-18)27(21,23)24/h5-12,20H,2-4,13-15H2,1H3,(H2,21,23,24)
InChIKeyUBOQZXJRCBRQHS-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.95
Rot. Bonds8

About 4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide

4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide (PubChem CID 46662798) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
PubChem CID46662798
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
SMILESCCOc1ccc(C2CCCN2CCOc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-2-25-17-7-5-16(6-8-17)20-4-3-13-22(20)14-15-26-18-9-11-19(12-10-18)27(21,23)24/h5-12,20H,2-4,13-15H2,1H3,(H2,21,23,24)
InChIKeyUBOQZXJRCBRQHS-UHFFFAOYSA-N
XLogP2.95
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-ethoxyphenyl)pyrrolidine
CID 39991594
4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 46666885
2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 26671200
4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34933504
4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide
CID 61295573
4-[2-(5-methyl-1,4-thiazepan-4-yl)ethoxy]benzenesulfonamide
CID 131960751
1-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)pyrrolidine
CID 24511415
4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide
CID 119927841
(2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 93049136
4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 78962070
4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide
CID 51270971
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 47014126

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide (CID 46662798) is 4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide is CCOc1ccc(C2CCCN2CCOc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide?
The InChIKey is UBOQZXJRCBRQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-2-25-17-7-5-16(6-8-17)20-4-3-13-22(20)14-15-26-18-9-11-19(12-10-18)27(21,23)24/h5-12,20H,2-4,13-15H2,1H3,(H2,21,23,24).
What are the key properties of 4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide?
4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide is sourced from PubChem (CID 46662798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).