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Basic information
- Standard SMILES
Nc1ccccc1S(=O)(=O)n1c(=O)[nH]c2cc(Cl)ccc2c1=O- InChIKey
QHROTRMCFDABAL-UHFFFAOYSA-N- Molecular formula
- C14H10ClN3O4S
- Average molar mass
- 351.8 g/mol
Names & identifiers
- Preferred name
- 3-(2-Aminobenzenesulfonyl)-7-Chloro-2,4(1H,3H)-Quinazolinedione
- IUPAC
- 3-(2-aminophenyl)sulfonyl-7-chloro-1H-quinazoline-2,4-dione
Names & synonyms
259536-60-2SCHEMBL3788148QHROTRMCFDABAL-UHFFFAOYSA-NPD1295743-((2-Aminophenyl)sulfonyl)-7-chloroquinazoline-2,4(1H,3H)-dione3-(2-Aminobenzenesulfonyl)-7-Chloro-2,4(1H,3H)-Quinazolinedione3-(2-aminobenzenesulfonyl)-7-chloro-2.4(1H,3H)-quinazolinedione
Database identifiers
- PubChem CID
- 9841392
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 606
Related reactions
5 records
Compound notes
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