4-[5-(2-chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide

C21H18ClN3O3S — CID 121225782

IUPAC4-[5-(2-chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3ccccc3Cl)CC2c2ccccc2O)cc1
InChIInChI=1S/C21H18ClN3O3S/c22-18-7-3-1-5-16(18)19-13-20(17-6-2-4-8-21(17)26)25(24-19)14-9-11-15(12-10-14)29(23,27)28/h1-12,20,26H,13H2,(H2,23,27,28)
InChIKeyFYGOUSFFMDFMJL-UHFFFAOYSA-N
MW427.91 g/mol
LogP4.05
Rot. Bonds4

About 4-[5-(2-chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide

4-[5-(2-chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 121225782) has the molecular formula C21H18ClN3O3S and a molecular weight of 427.91 g/mol. Its IUPAC name is 4-[5-(2-chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(2-chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID121225782
Molecular FormulaC21H18ClN3O3S
Molecular Weight427.91 g/mol
Exact Mass427.08
IUPAC Name4-[5-(2-chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3ccccc3Cl)CC2c2ccccc2O)cc1
InChIInChI=1S/C21H18ClN3O3S/c22-18-7-3-1-5-16(18)19-13-20(17-6-2-4-8-21(17)26)25(24-19)14-9-11-15(12-10-14)29(23,27)28/h1-12,20,26H,13H2,(H2,23,27,28)
InChIKeyFYGOUSFFMDFMJL-UHFFFAOYSA-N
XLogP4.05
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-[5-(2-chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-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 4-[5-(2-chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(2-chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CID 121225782) is 4-[5-(2-chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(2-chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(2-chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2N=C(c3ccccc3Cl)CC2c2ccccc2O)cc1.
What is the InChIKey of 4-[5-(2-chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is FYGOUSFFMDFMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3S/c22-18-7-3-1-5-16(18)19-13-20(17-6-2-4-8-21(17)26)25(24-19)14-9-11-15(12-10-14)29(23,27)28/h1-12,20,26H,13H2,(H2,23,27,28).
What are the key properties of 4-[5-(2-chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[5-(2-chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 427.91 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-chlorophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 121225782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).