2-Bromo-3',4'-dimethyl-5'-sulfamoylacetophenone

HCID 21394783

Notes Reactions

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Basic information

Standard SMILES: Cc1cc(C(=O)CBr)cc(S(N)(=O)=O)c1C
InChIKey: WRTYVFZFXYTXSG-UHFFFAOYSA-N
Molecular formula: C10H12BrNO3S
Average molar mass: 306.18 g/mol
Monoisotopic mass: 304.97213

Names & identifiers

Preferred name: 2-Bromo-3',4'-dimethyl-5'-sulfamoylacetophenone
IUPAC: 5-(2-bromoacetyl)-2,3-dimethylbenzenesulfonamide

Names & synonyms

SCHEMBL11758642WRTYVFZFXYTXSG-UHFFFAOYSA-N2-bromo-3',4'-dimethyl-5'-sulfamoyl-acetophenon2-bromo-3',4'-dimethyl-5'-sulfamoylacetophenone2-bromo-3',4'-dimethyl-5'-sulfamoyl-acetophenone

Database identifiers

PubChem CID: 21394783

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 85.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 363

Related reactions

3 records

New reaction record

HRID 460828As reactantuspto-grants-1977_12

HRID 460829As reactantuspto-grants-1977_12

HRID 460830As reactantuspto-grants-1977_12

Compound notes

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