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

C21H19N3O3S — CID 163201102

IUPAC4-[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccccc2)cc1
InChIInChI=1S/C21H19N3O3S/c22-28(26,27)19-12-8-17(9-13-19)24-21(16-4-2-1-3-5-16)14-20(23-24)15-6-10-18(25)11-7-15/h1-13,21,25H,14H2,(H2,22,26,27)
InChIKeyGUGQSTFSRGHZBN-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.40
Rot. Bonds4

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

4-[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 163201102) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID163201102
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name4-[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccccc2)cc1
InChIInChI=1S/C21H19N3O3S/c22-28(26,27)19-12-8-17(9-13-19)24-21(16-4-2-1-3-5-16)14-20(23-24)15-6-10-18(25)11-7-15/h1-13,21,25H,14H2,(H2,22,26,27)
InChIKeyGUGQSTFSRGHZBN-UHFFFAOYSA-N
XLogP3.40
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CID 163201102) is 4-[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccccc2)cc1.
What is the InChIKey of 4-[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is GUGQSTFSRGHZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c22-28(26,27)19-12-8-17(9-13-19)24-21(16-4-2-1-3-5-16)14-20(23-24)15-6-10-18(25)11-7-15/h1-13,21,25H,14H2,(H2,22,26,27).
What are the key properties of 4-[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 393.47 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 163201102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).