2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-1,3-dihydropyrazol-3-yl]phenol

C24H19N3O5S3 — CID 91034236

About 2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-1,3-dihydropyrazol-3-yl]phenol

2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-1,3-dihydropyrazol-3-yl]phenol (PubChem CID 91034236) has the molecular formula C24H19N3O5S3 and a molecular weight of 525.63 g/mol. Its IUPAC name is 2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-1,3-dihydropyrazol-3-yl]phenol.

Molecular Properties

• Compound Name: 2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-1,3-dihydropyrazol-3-yl]phenol
• PubChem CID: 91034236
• Molecular Formula: C24H19N3O5S3
• Molecular Weight: 525.63 g/mol
• Exact Mass: 525.05
• IUPAC Name: 2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-1,3-dihydropyrazol-3-yl]phenol
• SMILES: O=S(=O)(c1ccccc1)c1ccc(S(=O)(=O)N2NC(c3cccnc3)=CC2c2ccccc2O)s1
• InChI: InChI=1S/C24H19N3O5S3/c28-22-11-5-4-10-19(22)21-15-20(17-7-6-14-25-16-17)26-27(21)35(31,32)24-13-12-23(33-24)34(29,30)18-8-2-1-3-9-18/h1-16,21,26,28H
• InChIKey: OAINMPWFXIQHDY-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 116.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.63
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-1,3-dihydropyrazol-3-yl]phenol?

The IUPAC name of 2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-1,3-dihydropyrazol-3-yl]phenol (CID 91034236) is 2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-1,3-dihydropyrazol-3-yl]phenol.

What is the SMILES notation for 2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-1,3-dihydropyrazol-3-yl]phenol?

The canonical SMILES for 2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-1,3-dihydropyrazol-3-yl]phenol is O=S(=O)(c1ccccc1)c1ccc(S(=O)(=O)N2NC(c3cccnc3)=CC2c2ccccc2O)s1.

What is the InChIKey of 2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-1,3-dihydropyrazol-3-yl]phenol?

The InChIKey is OAINMPWFXIQHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5S3/c28-22-11-5-4-10-19(22)21-15-20(17-7-6-14-25-16-17)26-27(21)35(31,32)24-13-12-23(33-24)34(29,30)18-8-2-1-3-9-18/h1-16,21,26,28H.

What are the key properties of 2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-1,3-dihydropyrazol-3-yl]phenol?

2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-1,3-dihydropyrazol-3-yl]phenol has a molecular weight of 525.63 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-1,3-dihydropyrazol-3-yl]phenol is sourced from PubChem (CID 91034236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).