Basic information
- CAS
106145-03-3- Standard SMILES
O=C(O)c1ccc(S(=O)(=O)NCl)cc1- InChIKey
WGHSWNHOFPGMKJ-UHFFFAOYSA-N- Molecular formula
- C7H6ClNO4S
- Average molar mass
- 235.65 g/mol
- Monoisotopic mass
- 234.9706065
Names & identifiers
- Preferred name
- Monalazone
- IUPAC
- 4-(chlorosulfamoyl)benzoic acid
Names & synonyms
Monalazonep-(Chlorosulfamoyl)benzoic acid106145-03-3UNII-2UP9F49N8H2UP9F49N8HBenzoic acid, 4-[(chloroamino)sulfonyl]-4-(chlorosulfamoyl)benzoic AcidMONALAZONE [WHO-DD]SCHEMBL3045137CHEMBL2110958DTXSID70147532WGHSWNHOFPGMKJ-UHFFFAOYSA-N
Show more names
Q27255619
Database identifiers
- CAS
106145-03-3- PubChem CID
- 68809
- DTXSID
DTXSID70147532- ChEMBL
CHEMBL2110958- UNII
- 2UP9F49N8H
- Nikkaji
- J1.653.185E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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