ISDA: 9QXK

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1JBB

IUPAC Name: thiophene-3-sulfonamide

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccsc1

InChI: InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H

InChI Key: YTPLMLYBLZKORZ-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C4 H5 N O2 S2

Molecular weight: 163.218

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 1

Rotatable Bonds: 2

Heavy Atoms: 9

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	thiophene-3-sulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C4H5NO2S2/c5-9(6,7)4-1-2-8-3-4/h1-3H,(H2,5,6,7)
InChIKey	InChI	1.06	BWJZHYWAXLWLTB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	N[S](=O)(=O)c1cscc1
SMILES	CACTVS	3.385	N[S](=O)(=O)c1cscc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cscc1S(=O)(=O)N
SMILES	OpenEye OEToolkits	2.0.7	c1cscc1S(=O)(=O)N

Chemical Database Mapping

Database	Reference ID
PubChem	1201388
ZINC	ZINC000000967207
SureChEMBL	SCHEMBL1035591