N-(2-iodo-4-nitrophenyl)methanesulfonamide

HCID 67284366

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1I
InChIKey: BXRLNVJONDVTMW-UHFFFAOYSA-N
Molecular formula: C7H7IN2O4S
Average molar mass: 342.11 g/mol

Names & identifiers

Preferred name: N-(2-iodo-4-nitrophenyl)methanesulfonamide
IUPAC: N-(2-iodo-4-nitrophenyl)methanesulfonamide

Names & synonyms

SCHEMBL2122759BXRLNVJONDVTMW-UHFFFAOYSA-NN-(2-iodo-4-nitrophenyl)methanesulfonamide

Database identifiers

PubChem CID: 67284366

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 100 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 334

Related reactions

8 records

New reaction record

HRID 147413 reaction equation

HRID 147413As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 302614 reaction equation

HRID 302614As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 541071 reaction equation

HRID 541071As productuspto-grants-2014_10

HRID 541072 reaction equation

HRID 541072As reactantuspto-grants-2014_10

HRID 541077 reaction equation

HRID 541077As productuspto-grants-2014_10

HRID 1947430 reaction equation

HRID 1947430As productuspto-grants-2013_03

HRID 1947431 reaction equation

HRID 1947431As reactantuspto-grants-2013_03

HRID 1947436 reaction equation

HRID 1947436As productuspto-grants-2013_03

Compound notes

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