N-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide

C17H12ClN5O2S — CID 141461656

IUPACN-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cnc3[nH]ncc3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C17H12ClN5O2S/c18-16-15(23-26(24,25)14-4-2-1-3-5-14)7-12(8-19-16)11-6-13-10-21-22-17(13)20-9-11/h1-10,23H,(H,20,21,22)
InChIKeyVFNUYVJFDQOTNJ-UHFFFAOYSA-N
MW385.84 g/mol
LogP3.47
Rot. Bonds4

About N-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide

N-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 141461656) has the molecular formula C17H12ClN5O2S and a molecular weight of 385.84 g/mol. Its IUPAC name is N-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID141461656
Molecular FormulaC17H12ClN5O2S
Molecular Weight385.84 g/mol
Exact Mass385.04
IUPAC NameN-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cnc3[nH]ncc3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C17H12ClN5O2S/c18-16-15(23-26(24,25)14-4-2-1-3-5-14)7-12(8-19-16)11-6-13-10-21-22-17(13)20-9-11/h1-10,23H,(H,20,21,22)
InChIKeyVFNUYVJFDQOTNJ-UHFFFAOYSA-N
XLogP3.47
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.84
LogP ≤ 53.47
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-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide (CID 141461656) is N-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2cnc3[nH]ncc3c2)cnc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is VFNUYVJFDQOTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O2S/c18-16-15(23-26(24,25)14-4-2-1-3-5-14)7-12(8-19-16)11-6-13-10-21-22-17(13)20-9-11/h1-10,23H,(H,20,21,22).
What are the key properties of N-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
N-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 385.84 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 141461656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).