N-[2-chloro-5-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide

C23H16ClN5O2S — CID 141461669

IUPACN-[2-chloro-5-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cnc3n[nH]c(-c4ccccc4)c3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C23H16ClN5O2S/c24-22-20(29-32(30,31)18-9-5-2-6-10-18)12-17(13-25-22)16-11-19-21(15-7-3-1-4-8-15)27-28-23(19)26-14-16/h1-14,29H,(H,26,27,28)
InChIKeyJBCFMJUKWOMHEO-UHFFFAOYSA-N
MW461.93 g/mol
LogP5.14
Rot. Bonds5

About N-[2-chloro-5-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide

N-[2-chloro-5-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 141461669) has the molecular formula C23H16ClN5O2S and a molecular weight of 461.93 g/mol. Its IUPAC name is N-[2-chloro-5-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID141461669
Molecular FormulaC23H16ClN5O2S
Molecular Weight461.93 g/mol
Exact Mass461.07
IUPAC NameN-[2-chloro-5-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cnc3n[nH]c(-c4ccccc4)c3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C23H16ClN5O2S/c24-22-20(29-32(30,31)18-9-5-2-6-10-18)12-17(13-25-22)16-11-19-21(15-7-3-1-4-8-15)27-28-23(19)26-14-16/h1-14,29H,(H,26,27,28)
InChIKeyJBCFMJUKWOMHEO-UHFFFAOYSA-N
XLogP5.14
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.93
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide (CID 141461669) is N-[2-chloro-5-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2cnc3n[nH]c(-c4ccccc4)c3c2)cnc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is JBCFMJUKWOMHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O2S/c24-22-20(29-32(30,31)18-9-5-2-6-10-18)12-17(13-25-22)16-11-19-21(15-7-3-1-4-8-15)27-28-23(19)26-14-16/h1-14,29H,(H,26,27,28).
What are the key properties of N-[2-chloro-5-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
N-[2-chloro-5-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 461.93 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 141461669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).