ISDA: 6U6C

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: PZV

IUPAC Name: 1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide

Formal Charge: 0

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: O=C(c1ccccc1)N1CCc2ccccc21

InChI: InChI=1S/C15H13NO/c17-15(13-7-2-1-3-8-13)16-11-10-12-6-4-5-9-14(12)16/h1-9H,10-11H2

InChI Key: NJZYEXUZNJGGPH-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C16 H15 F N2 O3 S

Molecular weight: 334.365

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 1

Rotatable Bonds: 4

Heavy Atoms: 23

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
OpenEye OEToolkits	2.0.7	1-(2-fluorophenyl)carbonyl-~{N}-methyl-2,3-dihydroindole-5-sulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2cc(S(NC)(=O)=O)cc3CCN(C(c1ccccc1F)=O)c23
InChI	InChI	1.03	InChI=1S/C16H15FN2O3S/c1-18-23(21,22)12-6-7-15-11(10-12)8-9-19(15)16(20)13-4-2-3-5-14(13)17/h2-7,10,18H,8-9H2,1H3
InChIKey	InChI	1.03	MLAUXXOCJYXBIG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN[S](=O)(=O)c1ccc2N(CCc2c1)C(=O)c3ccccc3F
SMILES	CACTVS	3.385	CN[S](=O)(=O)c1ccc2N(CCc2c1)C(=O)c3ccccc3F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c3ccccc3F
SMILES	OpenEye OEToolkits	2.0.7	CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c3ccccc3F

Chemical Database Mapping

Database	Reference ID
PubChem	51098268
ZINC	ZINC000058290514