N-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C13H12N4O2S — CID 61168850

IUPACN-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESNc1ccccc1NS(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C13H12N4O2S/c14-10-5-1-2-6-11(10)17-20(18,19)12-8-16-13-9(12)4-3-7-15-13/h1-8,17H,14H2,(H,15,16)
InChIKeyVTKAWLCNJAPKSD-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.95
Rot. Bonds3

About N-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

N-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 61168850) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID61168850
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESNc1ccccc1NS(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C13H12N4O2S/c14-10-5-1-2-6-11(10)17-20(18,19)12-8-16-13-9(12)4-3-7-15-13/h1-8,17H,14H2,(H,15,16)
InChIKeyVTKAWLCNJAPKSD-UHFFFAOYSA-N
XLogP1.95
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 60560681
N-(2-aminophenyl)quinoline-5-sulfonamide
CID 104773530
N-(2-amino-2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115303409
N-(2-bromo-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 60560655
N-(3-aminobutyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 55169893
N-(2-chloropyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 116798817
N-(4-propylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 142393211
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 79531355
N-(3-fluoro-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53173972
N-(5-bromo-6-chloro-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 105055687
5-amino-N-(2-chloro-3-pyridinyl)-1H-indole-3-sulfonamide
CID 64851484
ethane;1H-pyrrolo[2,3-b]pyridin-3-amine
CID 142426313

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 61168850) is N-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is Nc1ccccc1NS(=O)(=O)c1c[nH]c2ncccc12.
What is the InChIKey of N-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is VTKAWLCNJAPKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c14-10-5-1-2-6-11(10)17-20(18,19)12-8-16-13-9(12)4-3-7-15-13/h1-8,17H,14H2,(H,15,16).
What are the key properties of N-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 61168850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).