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

C23H17N5O2S — CID 50925575

IUPACN-[5-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)c1)c1ccccc1
InChIInChI=1S/C23H17N5O2S/c29-31(30,20-6-2-1-3-7-20)28-19-9-17(12-25-14-19)18-10-21-22(15-27-23(21)26-13-18)16-5-4-8-24-11-16/h1-15,28H,(H,26,27)
InChIKeyICWONVDJUPQXIU-UHFFFAOYSA-N
MW427.49 g/mol
LogP4.49
Rot. Bonds5

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

N-[5-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 50925575) has the molecular formula C23H17N5O2S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-[5-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID50925575
Molecular FormulaC23H17N5O2S
Molecular Weight427.49 g/mol
Exact Mass427.11
IUPAC NameN-[5-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)c1)c1ccccc1
InChIInChI=1S/C23H17N5O2S/c29-31(30,20-6-2-1-3-7-20)28-19-9-17(12-25-14-19)18-10-21-22(15-27-23(21)26-13-18)16-5-4-8-24-11-16/h1-15,28H,(H,26,27)
InChIKeyICWONVDJUPQXIU-UHFFFAOYSA-N
XLogP4.49
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide (CID 50925575) is N-[5-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cncc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)c1)c1ccccc1.
What is the InChIKey of N-[5-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is ICWONVDJUPQXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2S/c29-31(30,20-6-2-1-3-7-20)28-19-9-17(12-25-14-19)18-10-21-22(15-27-23(21)26-13-18)16-5-4-8-24-11-16/h1-15,28H,(H,26,27).
What are the key properties of N-[5-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
N-[5-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 427.49 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 50925575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).