ISDA: 13MV

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1CUK

IUPAC Name: 1,3-dihydro-2-benzofuran-5-sulfonamide

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccc2c(c1)COC2

InChI: InChI=1S/C8H8O/c1-2-4-8-6-9-5-7(8)3-1/h1-4H,5-6H2

InChI Key: SFLGSKRGOWRGBR-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C8 H9 N O3 S

Molecular weight: 199.227

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 1

Rotatable Bonds: 2

Heavy Atoms: 13

Systematic name

Program	Version	Descriptor
ACDLabs	14.52	1,3-dihydro-2-benzofuran-5-sulfonamide
OpenEye OEToolkits	3.1.0.0	1,3-dihydro-2-benzofuran-5-sulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	NS(=O)(=O)c1ccc2COCc2c1
InChI	InChI	1.06	InChI=1S/C8H9NO3S/c9-13(10,11)8-2-1-6-4-12-5-7(6)3-8/h1-3H,4-5H2,(H2,9,10,11)
InChIKey	InChI	1.06	NCAGOQKFTHTONQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	N[S](=O)(=O)c1ccc2COCc2c1
SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc2COCc2c1
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	c1cc2c(cc1S(=O)(=O)N)COC2
SMILES	OpenEye OEToolkits	3.1.0.0	c1cc2c(cc1S(=O)(=O)N)COC2

Chemical Database Mapping