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

C21H29N3O4S — CID 34933504

IUPAC4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide
SMILESCCOc1ccc(CN2CCN(CCOc3ccc(S(N)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C21H29N3O4S/c1-2-27-19-5-3-18(4-6-19)17-24-13-11-23(12-14-24)15-16-28-20-7-9-21(10-8-20)29(22,25)26/h3-10H,2,11-17H2,1H3,(H2,22,25,26)
InChIKeyBDGUCDLHEXSBRX-UHFFFAOYSA-N
MW419.55 g/mol
LogP1.93
Rot. Bonds9

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

4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide (PubChem CID 34933504) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is 4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide
PubChem CID34933504
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide
SMILESCCOc1ccc(CN2CCN(CCOc3ccc(S(N)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C21H29N3O4S/c1-2-27-19-5-3-18(4-6-19)17-24-13-11-23(12-14-24)15-16-28-20-7-9-21(10-8-20)29(22,25)26/h3-10H,2,11-17H2,1H3,(H2,22,25,26)
InChIKeyBDGUCDLHEXSBRX-UHFFFAOYSA-N
XLogP1.93
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 141313696
4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34704622
4-[2-[4-(ethylaminomethyl)piperidin-1-yl]ethoxy]benzenesulfonamide
CID 119927841
4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzenesulfonamide
CID 80702716
1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine
CID 2881274
3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 30750718
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
tert-butyl 4-[2-(4-sulfamoylphenoxy)ethyl]piperazine-1-carboxylate
CID 46594465
4-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 24629101
4-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 78962070
4-[[[4-(3-piperidin-1-ylpropoxy)phenyl]methylamino]methyl]benzenesulfonamide
CID 177234136
4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 46662798

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide (CID 34933504) is 4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide is CCOc1ccc(CN2CCN(CCOc3ccc(S(N)(=O)=O)cc3)CC2)cc1.
What is the InChIKey of 4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide?
The InChIKey is BDGUCDLHEXSBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-2-27-19-5-3-18(4-6-19)17-24-13-11-23(12-14-24)15-16-28-20-7-9-21(10-8-20)29(22,25)26/h3-10H,2,11-17H2,1H3,(H2,22,25,26).
What are the key properties of 4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide?
4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide has a molecular weight of 419.55 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethoxy]benzenesulfonamide is sourced from PubChem (CID 34933504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).