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1-Hydroxy-1-methyl-3-(3-methylsulfonylphenyl)urea

HCID 19967403
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(O)C(=O)Nc1cccc(S(C)(=O)=O)c1
InChIKey
CDFBRZWZPFQLHK-UHFFFAOYSA-N
Molecular formula
C9H12N2O4S
Average molar mass
244.27 g/mol

Names & identifiers

Preferred name
1-Hydroxy-1-methyl-3-(3-methylsulfonylphenyl)urea
IUPAC
1-hydroxy-1-methyl-3-(3-methylsulfonylphenyl)urea

Names & synonyms

SCHEMBL7616845

Database identifiers

PubChem CID
19967403

Properties

Computed structural properties

XLogP
0
Topological polar surface area
95.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
349

Related reactions

1 records
New reaction record
HRID 689886 reaction equation
HRID 689886As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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