2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-5-chlorobenzoic acid

HCID 2832037

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

Related reactions

4 records

Compound notes

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