Basic information
- Standard SMILES
COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2CCl)n1- InChIKey
FOZAQHFCWRSZOH-UHFFFAOYSA-N- Molecular formula
- C14H15ClN4O5S
- Average molar mass
- 386.8 g/mol
Names & identifiers
- Preferred name
- 2-(Chloromethyl)-N-[(4,6-dimethoxypyrimidin-2-yl)-aminocarbonyl]benzenesulfonamide
- IUPAC
- 1-[2-(chloromethyl)phenyl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
Names & synonyms
SCHEMBL10646472FOZAQHFCWRSZOH-UHFFFAOYSA-N2-(Chloromethyl)-N-[(4,6-dimethoxypyrimidin-2-yl)-aminocarbonyl]benzenesulfonamide2-(chloromethyl)-N-[(4,6-dimethoxypyrimidin-2-yl)aminocarbonyl]benzenesulfonamide
Database identifiers
- PubChem CID
- 13364617
- Nikkaji
- J697.967J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 532
Related reactions
5 records
Linked notes
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