ISDA: 6PDA

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: O9J

IUPAC Name: 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide

Formal Charge: 0

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccn2)c1

InChI: InChI=1S/C18H15N3O3S/c22-18(20-21-25(23,24)16-9-2-1-3-10-16)15-8-6-7-14(13-15)17-11-4-5-12-19-17/h1-13,21H,(H,20,22)

InChI Key: JFMOGUHGUYVDEE-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C19 H16 F N3 O3 S

Molecular weight: 385.412

Hydrogen Bond Acceptor: 4

Hydrogen Bond Donor: 2

Rotatable Bonds: 6

Heavy Atoms: 27

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide
OpenEye OEToolkits	2.0.7	2-fluoranyl-3-methyl-~{N}'-(phenylsulfonyl)-5-pyridin-2-yl-benzohydrazide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3ccnc(c2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F)c3
InChI	InChI	1.03	InChI=1S/C19H16FN3O3S/c1-13-11-14(17-9-5-6-10-21-17)12-16(18(13)20)19(24)22-23-27(25,26)15-7-3-2-4-8-15/h2-12,23H,1H3,(H,22,24)
InChIKey	InChI	1.03	MWANLGMUCLJUNG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)c3ccccn3
SMILES	CACTVS	3.385	Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)c3ccccn3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccn3
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccn3

Chemical Database Mapping

Database	Reference ID
PubChem	134581398
SureChEMBL	SCHEMBL20233240