ISDA: 9IDL

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1I2M

IUPAC Name: pyridine-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 H6 N2 O2 S

Molecular weight: 158.178

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 1

Rotatable Bonds: 2

Heavy Atoms: 10

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	pyridine-3-sulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C5H6N2O2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H,(H2,6,8,9)
InChIKey	InChI	1.06	NKFLEFWUYAUDJV-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	N[S](=O)(=O)c1cccnc1
SMILES	CACTVS	3.385	N[S](=O)(=O)c1cccnc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(cnc1)S(=O)(=O)N
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cnc1)S(=O)(=O)N

Chemical Database Mapping

Database	Reference ID
PubChem	232710
ZINC	ZINC000001661166
SureChEMBL	SCHEMBL393736