Completing data — usually done within a minute
Basic information
- CAS
138323-24-7- Standard SMILES
O=C(O)c1cc(Cl)ccc1NS(=O)(=O)c1cccc2nsnc12- InChIKey
NAGCNIXZISTDLA-UHFFFAOYSA-N- Molecular formula
- C13H8ClN3O4S2
- Average molar mass
- 369.8 g/mol
- Monoisotopic mass
- 368.96447542
Names & identifiers
- Preferred name
- 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-5-chlorobenzoic acid
- IUPAC
- 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-5-chlorobenzoic acid
Names & synonyms
2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-5-chlorobenzoic acid138323-24-7CBDivE_006311Oprea1_535773SCHEMBL3745368NAGCNIXZISTDLA-UHFFFAOYSA-NDTXSID901165092CCG-25806EU-0050717SR-01000508282SR-01000508282-12-(benzo[1,2,5]thiadiazole-4-sulfonylamino)-5-chloro-benzoic acid
Show more names
2-[(2,1,3-Benzothiadiazole-4-sulfonyl)amino]-5-chlorobenzoic acid
Database identifiers
- CAS
138323-24-7- PubChem CID
- 2832037
- DTXSID
DTXSID901165092
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 556
Related reactions
4 records
Compound notes
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