2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide

C21H14Cl3N3O2S — CID 67580377

IUPAC2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nc(-c2ccc(Cl)cc2)cc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H14Cl3N3O2S/c22-15-8-5-13(6-9-15)18-12-20(14-7-10-16(23)17(24)11-14)27(26-18)19-3-1-2-4-21(19)30(25,28)29/h1-12H,(H2,25,28,29)
InChIKeyMIZDAYLOTHABGT-UHFFFAOYSA-N
MW478.79 g/mol
LogP5.81
Rot. Bonds4

About 2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide

2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67580377) has the molecular formula C21H14Cl3N3O2S and a molecular weight of 478.79 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67580377
Molecular FormulaC21H14Cl3N3O2S
Molecular Weight478.79 g/mol
Exact Mass476.99
IUPAC Name2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nc(-c2ccc(Cl)cc2)cc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H14Cl3N3O2S/c22-15-8-5-13(6-9-15)18-12-20(14-7-10-16(23)17(24)11-14)27(26-18)19-3-1-2-4-21(19)30(25,28)29/h1-12H,(H2,25,28,29)
InChIKeyMIZDAYLOTHABGT-UHFFFAOYSA-N
XLogP5.81
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.79
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]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-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide (CID 67580377) is 2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-n1nc(-c2ccc(Cl)cc2)cc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is MIZDAYLOTHABGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl3N3O2S/c22-15-8-5-13(6-9-15)18-12-20(14-7-10-16(23)17(24)11-14)27(26-18)19-3-1-2-4-21(19)30(25,28)29/h1-12H,(H2,25,28,29).
What are the key properties of 2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide?
2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 478.79 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5-(3,4-dichlorophenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67580377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).