N-(2-cyano-3-methylphenyl)sulfamide

HCID 67097231

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cccc(NS(N)(=O)=O)c1C#N
InChIKey: KUXDYHBPUWRORG-UHFFFAOYSA-N
Molecular formula: C8H9N3O2S
Average molar mass: 211.24 g/mol

Names & identifiers

Preferred name: N-(2-cyano-3-methylphenyl)sulfamide
IUPAC: 2-cyano-1-methyl-3-(sulfamoylamino)benzene

Names & synonyms

SCHEMBL1620690KUXDYHBPUWRORG-UHFFFAOYSA-NN-(2-cyano-3-methylphenyl)sulfamide

Database identifiers

PubChem CID: 67097231

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 104 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 337

Related reactions

10 records

New reaction record

HRID 44361As reactantuspto-grants-2013_09

HRID 44362As productuspto-grants-2013_09

HRID 471492As reactantuspto-grants-2014_01

HRID 471493As productuspto-grants-2014_01

HRID 711630As reactantuspto-grants-2015_11

HRID 711631As productuspto-grants-2015_11

HRID 819664As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1117565As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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