4-(2,3-dichlorophenyl)sulfonyl-N-[[2-(ethoxymethyl)phenyl]methyl]piperazine-1-carboxamide

C21H25Cl2N3O4S — CID 34721841

IUPAC4-(2,3-dichlorophenyl)sulfonyl-N-[[2-(ethoxymethyl)phenyl]methyl]piperazine-1-carboxamide
SMILESCCOCc1ccccc1CNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C21H25Cl2N3O4S/c1-2-30-15-17-7-4-3-6-16(17)14-24-21(27)25-10-12-26(13-11-25)31(28,29)19-9-5-8-18(22)20(19)23/h3-9H,2,10-15H2,1H3,(H,24,27)
InChIKeyJTQYITMJCPMMAL-UHFFFAOYSA-N
MW486.42 g/mol
LogP3.75
Rot. Bonds7

About 4-(2,3-dichlorophenyl)sulfonyl-N-[[2-(ethoxymethyl)phenyl]methyl]piperazine-1-carboxamide

4-(2,3-dichlorophenyl)sulfonyl-N-[[2-(ethoxymethyl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 34721841) has the molecular formula C21H25Cl2N3O4S and a molecular weight of 486.42 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)sulfonyl-N-[[2-(ethoxymethyl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)sulfonyl-N-[[2-(ethoxymethyl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID34721841
Molecular FormulaC21H25Cl2N3O4S
Molecular Weight486.42 g/mol
Exact Mass485.09
IUPAC Name4-(2,3-dichlorophenyl)sulfonyl-N-[[2-(ethoxymethyl)phenyl]methyl]piperazine-1-carboxamide
SMILESCCOCc1ccccc1CNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C21H25Cl2N3O4S/c1-2-30-15-17-7-4-3-6-16(17)14-24-21(27)25-10-12-26(13-11-25)31(28,29)19-9-5-8-18(22)20(19)23/h3-9H,2,10-15H2,1H3,(H,24,27)
InChIKeyJTQYITMJCPMMAL-UHFFFAOYSA-N
XLogP3.75
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dichlorophenyl)sulfonyl-N-[[2-(ethoxymethyl)phenyl]methyl]piperazine-1-carboxamide 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 4-(2,3-dichlorophenyl)sulfonyl-N-[[2-(ethoxymethyl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,3-dichlorophenyl)sulfonyl-N-[[2-(ethoxymethyl)phenyl]methyl]piperazine-1-carboxamide (CID 34721841) is 4-(2,3-dichlorophenyl)sulfonyl-N-[[2-(ethoxymethyl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,3-dichlorophenyl)sulfonyl-N-[[2-(ethoxymethyl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,3-dichlorophenyl)sulfonyl-N-[[2-(ethoxymethyl)phenyl]methyl]piperazine-1-carboxamide is CCOCc1ccccc1CNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 4-(2,3-dichlorophenyl)sulfonyl-N-[[2-(ethoxymethyl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is JTQYITMJCPMMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O4S/c1-2-30-15-17-7-4-3-6-16(17)14-24-21(27)25-10-12-26(13-11-25)31(28,29)19-9-5-8-18(22)20(19)23/h3-9H,2,10-15H2,1H3,(H,24,27).
What are the key properties of 4-(2,3-dichlorophenyl)sulfonyl-N-[[2-(ethoxymethyl)phenyl]methyl]piperazine-1-carboxamide?
4-(2,3-dichlorophenyl)sulfonyl-N-[[2-(ethoxymethyl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 486.42 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)sulfonyl-N-[[2-(ethoxymethyl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 34721841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).