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

C22H21N3O4S — CID 121225784

IUPAC4-[3-(2-hydroxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESCOc1cccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccccc3O)C2)c1
InChIInChI=1S/C22H21N3O4S/c1-29-17-6-4-5-15(13-17)20-14-21(19-7-2-3-8-22(19)26)25(24-20)16-9-11-18(12-10-16)30(23,27)28/h2-13,21,26H,14H2,1H3,(H2,23,27,28)
InChIKeyLJODEFKOLSJJHY-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.40
Rot. Bonds5

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

4-[3-(2-hydroxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 121225784) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 4-[3-(2-hydroxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(2-hydroxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID121225784
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name4-[3-(2-hydroxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESCOc1cccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccccc3O)C2)c1
InChIInChI=1S/C22H21N3O4S/c1-29-17-6-4-5-15(13-17)20-14-21(19-7-2-3-8-22(19)26)25(24-20)16-9-11-18(12-10-16)30(23,27)28/h2-13,21,26H,14H2,1H3,(H2,23,27,28)
InChIKeyLJODEFKOLSJJHY-UHFFFAOYSA-N
XLogP3.40
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[3-(2-hydroxyphenyl)-5-(3-methoxyphenyl)-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-[3-(2-hydroxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(2-hydroxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CID 121225784) is 4-[3-(2-hydroxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(2-hydroxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(2-hydroxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide is COc1cccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccccc3O)C2)c1.
What is the InChIKey of 4-[3-(2-hydroxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is LJODEFKOLSJJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-29-17-6-4-5-15(13-17)20-14-21(19-7-2-3-8-22(19)26)25(24-20)16-9-11-18(12-10-16)30(23,27)28/h2-13,21,26H,14H2,1H3,(H2,23,27,28).
What are the key properties of 4-[3-(2-hydroxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[3-(2-hydroxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 423.49 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyphenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 121225784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).