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

C19H17N3O3S2 — CID 171353474

IUPAC4-[5-(4-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2cccs2)cc1
InChIInChI=1S/C19H17N3O3S2/c20-27(24,25)16-9-5-14(6-10-16)22-18(19-2-1-11-26-19)12-17(21-22)13-3-7-15(23)8-4-13/h1-11,18,23H,12H2,(H2,20,24,25)
InChIKeyIPSZZGQBFIICSX-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.46
Rot. Bonds4

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

4-[5-(4-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 171353474) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-[5-(4-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID171353474
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC Name4-[5-(4-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2cccs2)cc1
InChIInChI=1S/C19H17N3O3S2/c20-27(24,25)16-9-5-14(6-10-16)22-18(19-2-1-11-26-19)12-17(21-22)13-3-7-15(23)8-4-13/h1-11,18,23H,12H2,(H2,20,24,25)
InChIKeyIPSZZGQBFIICSX-UHFFFAOYSA-N
XLogP3.46
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[5-(4-hydroxyphenyl)-3-thiophen-2-yl-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-(4-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CID 171353474) is 4-[5-(4-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2N=C(c3ccc(O)cc3)CC2c2cccs2)cc1.
What is the InChIKey of 4-[5-(4-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is IPSZZGQBFIICSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c20-27(24,25)16-9-5-14(6-10-16)22-18(19-2-1-11-26-19)12-17(21-22)13-3-7-15(23)8-4-13/h1-11,18,23H,12H2,(H2,20,24,25).
What are the key properties of 4-[5-(4-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[5-(4-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 399.50 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-hydroxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 171353474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).