1-(3,4-dichlorophenyl)-4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazine

C21H26Cl2N2O3S — CID 91670220

IUPAC1-(3,4-dichlorophenyl)-4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazine
SMILESCCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C21H26Cl2N2O3S/c1-4-28-20-8-5-16(15(2)3)13-21(20)29(26,27)25-11-9-24(10-12-25)17-6-7-18(22)19(23)14-17/h5-8,13-15H,4,9-12H2,1-3H3
InChIKeyBDSVPSJUHRPLPM-UHFFFAOYSA-N
MW457.42 g/mol
LogP5.03
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazine

1-(3,4-dichlorophenyl)-4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazine (PubChem CID 91670220) has the molecular formula C21H26Cl2N2O3S and a molecular weight of 457.42 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazine
PubChem CID91670220
Molecular FormulaC21H26Cl2N2O3S
Molecular Weight457.42 g/mol
Exact Mass456.10
IUPAC Name1-(3,4-dichlorophenyl)-4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazine
SMILESCCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C21H26Cl2N2O3S/c1-4-28-20-8-5-16(15(2)3)13-21(20)29(26,27)25-11-9-24(10-12-25)17-6-7-18(22)19(23)14-17/h5-8,13-15H,4,9-12H2,1-3H3
InChIKeyBDSVPSJUHRPLPM-UHFFFAOYSA-N
XLogP5.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.42
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dichlorophenyl)-4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazine 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-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 1287876
1-(3-chloro-4-methylphenyl)-4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
CID 91669904
1-(3-chloro-4-methylphenyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazine
CID 1289904
2-ethoxy-N-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-propan-2-ylbenzenesulfonamide
CID 91670271
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine
CID 1303338
(3S)-1-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-3-methylpiperidine
CID 7574254
1-(5-bromo-2-ethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1184062
2-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)butanoyl chloride
CID 22994156
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine
CID 91670225
2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 2377022
1-(3,4-dichlorophenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 991799
1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine
CID 71671530

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazine (CID 91670220) is 1-(3,4-dichlorophenyl)-4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazine is CCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazine?
The InChIKey is BDSVPSJUHRPLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N2O3S/c1-4-28-20-8-5-16(15(2)3)13-21(20)29(26,27)25-11-9-24(10-12-25)17-6-7-18(22)19(23)14-17/h5-8,13-15H,4,9-12H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazine?
1-(3,4-dichlorophenyl)-4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazine has a molecular weight of 457.42 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazine is sourced from PubChem (CID 91670220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).