2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol

C24H19N3O5S3 — CID 24965365

IUPAC2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol
SMILESO=S(=O)(c1ccccc1)c1ccc(S(=O)(=O)N2N=C(c3cccnc3)CC2c2ccccc2O)s1
InChIInChI=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/h1-14,16,21,28H,15H2
InChIKeyWFHGTWVLFRXBPN-UHFFFAOYSA-N
MW525.63 g/mol
LogP4.22
Rot. Bonds6

About 2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol

2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol (PubChem CID 24965365) 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-3,4-dihydropyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol
PubChem CID24965365
Molecular FormulaC24H19N3O5S3
Molecular Weight525.63 g/mol
Exact Mass525.05
IUPAC Name2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol
SMILESO=S(=O)(c1ccccc1)c1ccc(S(=O)(=O)N2N=C(c3cccnc3)CC2c2ccccc2O)s1
InChIInChI=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/h1-14,16,21,28H,15H2
InChIKeyWFHGTWVLFRXBPN-UHFFFAOYSA-N
XLogP4.22
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.63
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol?
The IUPAC name of 2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol (CID 24965365) is 2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol.
What is the SMILES notation for 2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol?
The canonical SMILES for 2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol is O=S(=O)(c1ccccc1)c1ccc(S(=O)(=O)N2N=C(c3cccnc3)CC2c2ccccc2O)s1.
What is the InChIKey of 2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol?
The InChIKey is WFHGTWVLFRXBPN-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/h1-14,16,21,28H,15H2.
What are the key properties of 2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol?
2-[2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-5-pyridin-3-yl-3,4-dihydropyrazol-3-yl]phenol has a molecular weight of 525.63 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 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-3,4-dihydropyrazol-3-yl]phenol is sourced from PubChem (CID 24965365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).