About 2,4-dichloro-6-methoxy-N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide
2,4-dichloro-6-methoxy-N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide (PubChem CID 11330111) has the molecular formula C22H34Cl2N4O5S
and a molecular weight of 537.51 g/mol. Its IUPAC name is 2,4-dichloro-6-methoxy-N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide.
Molecular Properties
| Compound Name | 2,4-dichloro-6-methoxy-N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide |
|---|
| PubChem CID | 11330111 |
|---|
| Molecular Formula | C22H34Cl2N4O5S |
|---|
| Molecular Weight | 537.51 g/mol |
|---|
| Exact Mass | 536.16 |
|---|
| IUPAC Name | 2,4-dichloro-6-methoxy-N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide |
|---|
| SMILES | COc1cc(Cl)cc(Cl)c1S(=O)(=O)N(C)CCOCC(=O)N1CCN(C2CCN(C)CC2)CC1 |
|---|
| InChI | InChI=1S/C22H34Cl2N4O5S/c1-25-6-4-18(5-7-25)27-8-10-28(11-9-27)21(29)16-33-13-12-26(2)34(30,31)22-19(24)14-17(23)15-20(22)32-3/h14-15,18H,4-13,16H2,1-3H3 |
|---|
| InChIKey | CZSPPVCPVINCOB-UHFFFAOYSA-N |
|---|
| XLogP | 1.88 |
|---|
| TPSA | 82.63 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 34 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 537.51 |
| LogP ≤ 5 | 1.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Analyze 2,4-dichloro-6-methoxy-N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 2,4-dichloro-6-methoxy-N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-6-methoxy-N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide (CID 11330111) is 2,4-dichloro-6-methoxy-N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-6-methoxy-N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-6-methoxy-N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide is COc1cc(Cl)cc(Cl)c1S(=O)(=O)N(C)CCOCC(=O)N1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of 2,4-dichloro-6-methoxy-N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide?
The InChIKey is CZSPPVCPVINCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34Cl2N4O5S/c1-25-6-4-18(5-7-25)27-8-10-28(11-9-27)21(29)16-33-13-12-26(2)34(30,31)22-19(24)14-17(23)15-20(22)32-3/h14-15,18H,4-13,16H2,1-3H3.
What are the key properties of 2,4-dichloro-6-methoxy-N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide?
2,4-dichloro-6-methoxy-N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide has a molecular weight of 537.51 g/mol, XLogP of 1.88, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-methoxy-N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide is sourced from PubChem (CID 11330111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).