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N-(4-iodo-3-methylphenyl)-N-methylmethanesulphonamide

HCID 19785617
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(N(C)S(C)(=O)=O)ccc1I
InChIKey
JNEZRPDCGGHFQQ-UHFFFAOYSA-N
Molecular formula
C9H12INO2S
Average molar mass
325.17 g/mol

Names & identifiers

Preferred name
N-(4-iodo-3-methylphenyl)-N-methylmethanesulphonamide
IUPAC
N-(4-iodo-3-methylphenyl)-N-methylmethanesulfonamide

Names & synonyms

SCHEMBL9464475JNEZRPDCGGHFQQ-UHFFFAOYSA-NN-(4-iodo-3-methylphenyl)-N-methylmethanesulphonamide

Database identifiers

PubChem CID
19785617

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
286

Related reactions

3 records
New reaction record
HRID 256609 reaction equation
HRID 256609As productuspto-grants-1993_11
HRID 2147573 reaction equation
HRID 2147573As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2254668 reaction equation
HRID 2254668As productuspto-grants-1993_08

Compound notes

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