N-(1H-indol-7-yl)-4-sulfamoylbenzenesulfonamide

HCID 11100239

Notes Reactions

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Basic information

Standard SMILES: NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3cc[nH]c23)cc1
InChIKey: PUPBEGMQWLQKFS-UHFFFAOYSA-N
Molecular formula: C14H13N3O4S2
Average molar mass: 351.4 g/mol

Names & identifiers

Preferred name: N-(1H-indol-7-yl)-4-sulfamoylbenzenesulfonamide
IUPAC: 4-N-(1H-indol-7-yl)benzene-1,4-disulfonamide

Names & synonyms

CHEMBL146194N-(1H-indol-7-yl)benzene-1,4-disulfonamideSCHEMBL1984869PUPBEGMQWLQKFS-UHFFFAOYSA-NBDBM50473974N-(1H-indol-7-yl)-4-sulfamoylbenzenesulfonamide

Database identifiers

PubChem CID: 11100239
ChEMBL: CHEMBL146194

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 139 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 615

Related reactions

2 records

New reaction record

HRID 1107443As productuspto-grants-2000_05

HRID 1551736As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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