ISDA: 14UX

A1DOA
PO4

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1DOA

IUPAC Name: 6-aminopyridine-3-sulfonamide

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccncc1

InChI: InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H

InChI Key: JUJWROOIHBZHMG-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C5 H7 N3 O2 S

Molecular weight: 173.193

Hydrogen Bond Acceptor: 4

Hydrogen Bond Donor: 2

Rotatable Bonds: 3

Heavy Atoms: 11

Systematic name

Program	Version	Descriptor
ACDLabs	14.52	6-aminopyridine-3-sulfonamide
OpenEye OEToolkits	3.1.0.0	6-azanylpyridine-3-sulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=S(N)(=O)c1cnc(N)cc1
InChI	InChI	1.06	InChI=1S/C5H7N3O2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H,(H2,6,8)(H2,7,9,10)
InChIKey	InChI	1.06	VXPQZDZQAWMEHT-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1ccc(cn1)[S](N)(=O)=O
SMILES	CACTVS	3.385	Nc1ccc(cn1)[S](N)(=O)=O
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	c1cc(ncc1S(=O)(=O)N)N
SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(ncc1S(=O)(=O)N)N