1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine

C19H22Cl2N2O4S — CID 6734604

IUPAC1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(OC)c(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1
InChIInChI=1S/C19H22Cl2N2O4S/c1-26-16-4-6-18(27-2)14(11-16)13-22-7-9-23(10-8-22)28(24,25)19-12-15(20)3-5-17(19)21/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyAMWQNGOUURUNCT-UHFFFAOYSA-N
MW445.37 g/mol
LogP3.52
Rot. Bonds6

About 1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine

1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine (PubChem CID 6734604) has the molecular formula C19H22Cl2N2O4S and a molecular weight of 445.37 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
PubChem CID6734604
Molecular FormulaC19H22Cl2N2O4S
Molecular Weight445.37 g/mol
Exact Mass444.07
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(OC)c(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1
InChIInChI=1S/C19H22Cl2N2O4S/c1-26-16-4-6-18(27-2)14(11-16)13-22-7-9-23(10-8-22)28(24,25)19-12-15(20)3-5-17(19)21/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyAMWQNGOUURUNCT-UHFFFAOYSA-N
XLogP3.52
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine 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

1-(4-chlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 1122407
1-(5-bromo-2-fluorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 60609489
1-[(2,5-dimethoxyphenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 17060489
1-(2,5-dimethoxyphenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 35881835
1-(2-chlorophenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 38749302
1-(2-chloro-5-methoxyphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine
CID 1178550
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine
CID 19582940
1-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3496187
1-(2,5-dimethylphenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazine
CID 9037096
2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 110395649
4-[[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-6,7-dimethylchromen-2-one
CID 4794683

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine (CID 6734604) is 1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine is COc1ccc(OC)c(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine?
The InChIKey is AMWQNGOUURUNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O4S/c1-26-16-4-6-18(27-2)14(11-16)13-22-7-9-23(10-8-22)28(24,25)19-12-15(20)3-5-17(19)21/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine?
1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine has a molecular weight of 445.37 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 6734604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).