4-methoxy-N-[3-(1-methoxyethyl)phenyl]-3-piperazin-1-ylbenzenesulfonamide;hydrochloride

C20H28ClN3O4S — CID 57334668

IUPAC4-methoxy-N-[3-(1-methoxyethyl)phenyl]-3-piperazin-1-ylbenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(C)OC)c2)cc1N1CCNCC1.Cl
InChIInChI=1S/C20H27N3O4S.ClH/c1-15(26-2)16-5-4-6-17(13-16)22-28(24,25)18-7-8-20(27-3)19(14-18)23-11-9-21-10-12-23;/h4-8,13-15,21-22H,9-12H2,1-3H3;1H
InChIKeySDLMZRIFWIIICH-UHFFFAOYSA-N
MW441.98 g/mol
LogP3.03
Rot. Bonds7

About 4-methoxy-N-[3-(1-methoxyethyl)phenyl]-3-piperazin-1-ylbenzenesulfonamide;hydrochloride

4-methoxy-N-[3-(1-methoxyethyl)phenyl]-3-piperazin-1-ylbenzenesulfonamide;hydrochloride (PubChem CID 57334668) has the molecular formula C20H28ClN3O4S and a molecular weight of 441.98 g/mol. Its IUPAC name is 4-methoxy-N-[3-(1-methoxyethyl)phenyl]-3-piperazin-1-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[3-(1-methoxyethyl)phenyl]-3-piperazin-1-ylbenzenesulfonamide;hydrochloride
PubChem CID57334668
Molecular FormulaC20H28ClN3O4S
Molecular Weight441.98 g/mol
Exact Mass441.15
IUPAC Name4-methoxy-N-[3-(1-methoxyethyl)phenyl]-3-piperazin-1-ylbenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(C)OC)c2)cc1N1CCNCC1.Cl
InChIInChI=1S/C20H27N3O4S.ClH/c1-15(26-2)16-5-4-6-17(13-16)22-28(24,25)18-7-8-20(27-3)19(14-18)23-11-9-21-10-12-23;/h4-8,13-15,21-22H,9-12H2,1-3H3;1H
InChIKeySDLMZRIFWIIICH-UHFFFAOYSA-N
XLogP3.03
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.98
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-[3-(1-methoxyethyl)phenyl]-3-piperazin-1-ylbenzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(difluoromethoxy)phenyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 66744407
N-(2-tert-butylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 18354562
N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 56963264
N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperazin-1-ylbenzenesulfonamide
CID 56963265
4-methoxy-N-[(1-naphthalen-1-ylcyclopropyl)methyl]-3-piperazin-1-ylbenzenesulfonamide
CID 118465055
3-amino-N-(2-methoxyphenyl)-4-piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 22272475
N-[5-bromo-2-(2,2-difluoroethanimidoyl)phenyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 155371429
2,2-difluoro-N-(4-methoxy-3-piperazin-1-ylphenyl)-1,3-benzodioxole-4-sulfonamide;hydrochloride
CID 67095157
N-(4-tert-butylcyclohexyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 18549144
5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride
CID 6918455
4-methoxy-N-(3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53284103
4-bromo-5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)thiophene-2-sulfonamide
CID 18180179

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(1-methoxyethyl)phenyl]-3-piperazin-1-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[3-(1-methoxyethyl)phenyl]-3-piperazin-1-ylbenzenesulfonamide;hydrochloride (CID 57334668) is 4-methoxy-N-[3-(1-methoxyethyl)phenyl]-3-piperazin-1-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[3-(1-methoxyethyl)phenyl]-3-piperazin-1-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[3-(1-methoxyethyl)phenyl]-3-piperazin-1-ylbenzenesulfonamide;hydrochloride is COc1ccc(S(=O)(=O)Nc2cccc(C(C)OC)c2)cc1N1CCNCC1.Cl.
What is the InChIKey of 4-methoxy-N-[3-(1-methoxyethyl)phenyl]-3-piperazin-1-ylbenzenesulfonamide;hydrochloride?
The InChIKey is SDLMZRIFWIIICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S.ClH/c1-15(26-2)16-5-4-6-17(13-16)22-28(24,25)18-7-8-20(27-3)19(14-18)23-11-9-21-10-12-23;/h4-8,13-15,21-22H,9-12H2,1-3H3;1H.
What are the key properties of 4-methoxy-N-[3-(1-methoxyethyl)phenyl]-3-piperazin-1-ylbenzenesulfonamide;hydrochloride?
4-methoxy-N-[3-(1-methoxyethyl)phenyl]-3-piperazin-1-ylbenzenesulfonamide;hydrochloride has a molecular weight of 441.98 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(1-methoxyethyl)phenyl]-3-piperazin-1-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 57334668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).