ISDA: 3B4F

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: TUO

IUPAC Name: 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide

Formal Charge: 0

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccc(-c2c[nH]c3ccccc23)cc1

InChI: InChI=1S/C14H11N/c1-2-6-11(7-3-1)13-10-15-14-9-5-4-8-12(13)14/h1-10,15H

InChI Key: XZNGTBLWFCRXKR-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C15 H14 N4 O3 S

Molecular weight: 330.362

Hydrogen Bond Acceptor: 4

Hydrogen Bond Donor: 4

Rotatable Bonds: 5

Heavy Atoms: 23

Systematic name

Program	Version	Descriptor
ACDLabs	10.04	2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide
OpenEye OEToolkits	1.5.0	2-(aminocarbamoyl)-3-phenyl-1H-indole-5-sulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(c1cc2c(cc1)nc(c2c3ccccc3)C(=O)NN)N
SMILES_CANONICAL	CACTVS	3.341	NNC(=O)c1[nH]c2ccc(cc2c1c3ccccc3)[S](N)(=O)=O
SMILES	CACTVS	3.341	NNC(=O)c1[nH]c2ccc(cc2c1c3ccccc3)[S](N)(=O)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)NN)S(=O)(=O)N
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)NN)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C15H14N4O3S/c16-19-15(20)14-13(9-4-2-1-3-5-9)11-8-10(23(17,21)22)6-7-12(11)18-14/h1-8,18H,16H2,(H,19,20)(H2,17,21,22)
InChIKey	InChI	1.03	PPDLAUCFAOODER-UHFFFAOYSA-N

Chemical Database Mapping