1-(3,4-dichlorophenyl)sulfonyl-4-(2-nitrophenyl)piperazine

C16H15Cl2N3O4S — CID 2931434

IUPAC1-(3,4-dichlorophenyl)sulfonyl-4-(2-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H15Cl2N3O4S/c17-13-6-5-12(11-14(13)18)26(24,25)20-9-7-19(8-10-20)15-3-1-2-4-16(15)21(22)23/h1-6,11H,7-10H2
InChIKeyLGWPMYHGQJENGE-UHFFFAOYSA-N
MW416.29 g/mol
LogP3.41
Rot. Bonds4

About 1-(3,4-dichlorophenyl)sulfonyl-4-(2-nitrophenyl)piperazine

1-(3,4-dichlorophenyl)sulfonyl-4-(2-nitrophenyl)piperazine (PubChem CID 2931434) has the molecular formula C16H15Cl2N3O4S and a molecular weight of 416.29 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)sulfonyl-4-(2-nitrophenyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)sulfonyl-4-(2-nitrophenyl)piperazine
PubChem CID2931434
Molecular FormulaC16H15Cl2N3O4S
Molecular Weight416.29 g/mol
Exact Mass415.02
IUPAC Name1-(3,4-dichlorophenyl)sulfonyl-4-(2-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H15Cl2N3O4S/c17-13-6-5-12(11-14(13)18)26(24,25)20-9-7-19(8-10-20)15-3-1-2-4-16(15)21(22)23/h1-6,11H,7-10H2
InChIKeyLGWPMYHGQJENGE-UHFFFAOYSA-N
XLogP3.41
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(3,4-dichlorophenyl)sulfonyl-4-(2-nitrophenyl)piperazine 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 1-(3,4-dichlorophenyl)sulfonyl-4-(2-nitrophenyl)piperazine?
The IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-4-(2-nitrophenyl)piperazine (CID 2931434) is 1-(3,4-dichlorophenyl)sulfonyl-4-(2-nitrophenyl)piperazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)sulfonyl-4-(2-nitrophenyl)piperazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)sulfonyl-4-(2-nitrophenyl)piperazine is O=[N+]([O-])c1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)sulfonyl-4-(2-nitrophenyl)piperazine?
The InChIKey is LGWPMYHGQJENGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O4S/c17-13-6-5-12(11-14(13)18)26(24,25)20-9-7-19(8-10-20)15-3-1-2-4-16(15)21(22)23/h1-6,11H,7-10H2.
What are the key properties of 1-(3,4-dichlorophenyl)sulfonyl-4-(2-nitrophenyl)piperazine?
1-(3,4-dichlorophenyl)sulfonyl-4-(2-nitrophenyl)piperazine has a molecular weight of 416.29 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)sulfonyl-4-(2-nitrophenyl)piperazine is sourced from PubChem (CID 2931434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).