N-(4-(hydroxymethyl)-2-iodo-5-(methylthio)phenyl)methanesulfonamide
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Basic information
- Standard SMILES
CSc1cc(NS(C)(=O)=O)c(I)cc1CO- InChIKey
MZMRAIPDTXKGTB-UHFFFAOYSA-N- Molecular formula
- C9H12INO3S2
- Average molar mass
- 373.2 g/mol
Names & identifiers
- Preferred name
- N-(4-(hydroxymethyl)-2-iodo-5-(methylthio)phenyl)methanesulfonamide
- IUPAC
- N-[4-(hydroxymethyl)-2-iodo-5-methylsulfanylphenyl]methanesulfonamide
Names & synonyms
N-(4-(hydroxymethyl)-2-iodo-5-(methylthio)phenyl)methanesulfonamideSCHEMBL15271124MZMRAIPDTXKGTB-UHFFFAOYSA-NDB-1437461456693-19-8
Database identifiers
- PubChem CID
- 89814728
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 317
Related reactions
10 records
Compound notes
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