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

C20H16N4O3S — CID 52946229

IUPACN-[5-(3-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESCC(=O)c1c[nH]c2ncc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cc12
InChIInChI=1S/C20H16N4O3S/c1-13(25)19-12-23-20-18(19)8-15(10-22-20)14-7-16(11-21-9-14)24-28(26,27)17-5-3-2-4-6-17/h2-12,24H,1H3,(H,22,23)
InChIKeyJOSKZPAMEAHKKA-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.63
Rot. Bonds5

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

N-[5-(3-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 52946229) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[5-(3-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID52946229
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC NameN-[5-(3-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESCC(=O)c1c[nH]c2ncc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cc12
InChIInChI=1S/C20H16N4O3S/c1-13(25)19-12-23-20-18(19)8-15(10-22-20)14-7-16(11-21-9-14)24-28(26,27)17-5-3-2-4-6-17/h2-12,24H,1H3,(H,22,23)
InChIKeyJOSKZPAMEAHKKA-UHFFFAOYSA-N
XLogP3.63
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(3-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide (CID 52946229) is N-[5-(3-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(3-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(3-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide is CC(=O)c1c[nH]c2ncc(-c3cncc(NS(=O)(=O)c4ccccc4)c3)cc12.
What is the InChIKey of N-[5-(3-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is JOSKZPAMEAHKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-13(25)19-12-23-20-18(19)8-15(10-22-20)14-7-16(11-21-9-14)24-28(26,27)17-5-3-2-4-6-17/h2-12,24H,1H3,(H,22,23).
What are the key properties of N-[5-(3-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide?
N-[5-(3-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 392.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 52946229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).