N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide

C19H15N3O2S — CID 172686672

IUPACN-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccnc3[nH]ccc23)cc1)c1ccccc1
InChIInChI=1S/C19H15N3O2S/c23-25(24,16-4-2-1-3-5-16)22-15-8-6-14(7-9-15)17-10-12-20-19-18(17)11-13-21-19/h1-13,22H,(H,20,21)
InChIKeyBCYOTNJONCHEDI-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.03
Rot. Bonds4

About N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide

N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide (PubChem CID 172686672) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide
PubChem CID172686672
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC NameN-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2ccnc3[nH]ccc23)cc1)c1ccccc1
InChIInChI=1S/C19H15N3O2S/c23-25(24,16-4-2-1-3-5-16)22-15-8-6-14(7-9-15)17-10-12-20-19-18(17)11-13-21-19/h1-13,22H,(H,20,21)
InChIKeyBCYOTNJONCHEDI-UHFFFAOYSA-N
XLogP4.03
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]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-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide (CID 172686672) is N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-c2ccnc3[nH]ccc23)cc1)c1ccccc1.
What is the InChIKey of N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide?
The InChIKey is BCYOTNJONCHEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c23-25(24,16-4-2-1-3-5-16)22-15-8-6-14(7-9-15)17-10-12-20-19-18(17)11-13-21-19/h1-13,22H,(H,20,21).
What are the key properties of N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide?
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide has a molecular weight of 349.42 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 172686672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).