2,5-dimethoxy-N-(2-piperazin-1-ylsulfonylethyl)-N-propylbenzenesulfonamide

C17H29N3O6S2 — CID 20971411

IUPAC2,5-dimethoxy-N-(2-piperazin-1-ylsulfonylethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C17H29N3O6S2/c1-4-9-20(12-13-27(21,22)19-10-7-18-8-11-19)28(23,24)17-14-15(25-2)5-6-16(17)26-3/h5-6,14,18H,4,7-13H2,1-3H3
InChIKeyMFDZEYZADYPDIU-UHFFFAOYSA-N
MW435.57 g/mol
LogP0.34
Rot. Bonds10

About 2,5-dimethoxy-N-(2-piperazin-1-ylsulfonylethyl)-N-propylbenzenesulfonamide

2,5-dimethoxy-N-(2-piperazin-1-ylsulfonylethyl)-N-propylbenzenesulfonamide (PubChem CID 20971411) has the molecular formula C17H29N3O6S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(2-piperazin-1-ylsulfonylethyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(2-piperazin-1-ylsulfonylethyl)-N-propylbenzenesulfonamide
PubChem CID20971411
Molecular FormulaC17H29N3O6S2
Molecular Weight435.57 g/mol
Exact Mass435.15
IUPAC Name2,5-dimethoxy-N-(2-piperazin-1-ylsulfonylethyl)-N-propylbenzenesulfonamide
SMILESCCCN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C17H29N3O6S2/c1-4-9-20(12-13-27(21,22)19-10-7-18-8-11-19)28(23,24)17-14-15(25-2)5-6-16(17)26-3/h5-6,14,18H,4,7-13H2,1-3H3
InChIKeyMFDZEYZADYPDIU-UHFFFAOYSA-N
XLogP0.34
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,5-dimethoxy-N-(2-piperazin-1-ylsulfonylethyl)-N-propylbenzenesulfonamide 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

4-methoxy-N-(2-methoxyethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 20971352
N-(2-cyanoethyl)-2,5-dimethoxy-N-propylbenzenesulfonamide
CID 3711528
2,4-dimethoxy-N,N-dipropylbenzenesulfonamide
CID 19682152
5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide
CID 7749525
2,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50776143
N-cyclopropyl-4-methoxy-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 20971314
2,5-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146056560
N-cyclopropyl-2,5-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146056436
N-(azetidin-3-yl)-N-ethyl-2,5-dimethoxybenzenesulfonamide
CID 66181481
2,5-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146058827
2,5-dimethyl-N-(2-methylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 20971432
N,N-dibutyl-2,4-dimethoxybenzenesulfonamide
CID 19682241

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(2-piperazin-1-ylsulfonylethyl)-N-propylbenzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(2-piperazin-1-ylsulfonylethyl)-N-propylbenzenesulfonamide (CID 20971411) is 2,5-dimethoxy-N-(2-piperazin-1-ylsulfonylethyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(2-piperazin-1-ylsulfonylethyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(2-piperazin-1-ylsulfonylethyl)-N-propylbenzenesulfonamide is CCCN(CCS(=O)(=O)N1CCNCC1)S(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of 2,5-dimethoxy-N-(2-piperazin-1-ylsulfonylethyl)-N-propylbenzenesulfonamide?
The InChIKey is MFDZEYZADYPDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O6S2/c1-4-9-20(12-13-27(21,22)19-10-7-18-8-11-19)28(23,24)17-14-15(25-2)5-6-16(17)26-3/h5-6,14,18H,4,7-13H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-(2-piperazin-1-ylsulfonylethyl)-N-propylbenzenesulfonamide?
2,5-dimethoxy-N-(2-piperazin-1-ylsulfonylethyl)-N-propylbenzenesulfonamide has a molecular weight of 435.57 g/mol, XLogP of 0.34, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(2-piperazin-1-ylsulfonylethyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 20971411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).