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4-[N-(4-chlorophenyl)-N-methylsulphamoyl]imidazole

HCID 178482149
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(c1ccc(Cl)cc1)S(=O)(=O)c1c[nH]cn1
InChIKey
BZXQILTVRYDOLD-UHFFFAOYSA-N
Molecular formula
C10H10ClN3O2S
Average molar mass
271.72 g/mol
Monoisotopic mass
271.0182254

Names & identifiers

Preferred name
4-[N-(4-chlorophenyl)-N-methylsulphamoyl]imidazole
IUPAC
N-(4-chlorophenyl)-N-methyl-1H-imidazole-5-sulfonamide

Names & synonyms

SCHEMBL9875403BZXQILTVRYDOLD-UHFFFAOYSA-N4-[N-(4-chlorophenyl)-N-methylsulphamoyl]imidazole

Database identifiers

PubChem CID
19825132

Properties

Computed structural propertiesFilling in

XLogP
1.7
Topological polar surface area
74.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
349

Related reactions

2 records
New reaction record
HRID 727830 reaction equation
HRID 727830As productuspto-grants-1991_09
HRID 1131194 reaction equation
HRID 1131194As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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