4-(6-Chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanoic acid
Basic information
- CAS
101063-99-4- Standard SMILES
O=C(O)CCCC1=NS(=O)(=O)c2ccc(Cl)cc2N1- InChIKey
YOPLYGDBZRTEAI-UHFFFAOYSA-N- Molecular formula
- C11H11ClN2O4S
- Average molar mass
- 302.73 g/mol
- Monoisotopic mass
- 302.0128057
Names & identifiers
- Preferred name
- 4-(6-Chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanoic acid
- IUPAC
- 4-(6-chloro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)butanoic acid
- English name
- 6-Chloro-2H-1,2,4-benzothiadiazine-3-butanoic acid 1,1-dioxide
- Molecular formula
- C11H11ClN2O4S
- Molecular weight
- 302.73
Names & synonyms
101063-99-4DTXSID308763114-(6-Chloro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanoic acidBUTANOIC ACID, 4-(6-CHLORO-4H-1,2,4-BENZOTHIADIA4-(6-Chloro-1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoic acid6-Chloro-2H-1,2,4-benzothiadiazine-3-butanoic acid 1,1-dioxide2H-1,2,4-Benzothiadiazine-3-butanoic acid, 6-chloro-, 1,1-dioxide3-(3-Carboxypropyl)-6-chloro-4H-1,2,4-benzothiadiazine 1,1-dioxide
Database identifiers
- CAS
101063-99-4- PubChem CID
- 13486705
- DTXSID
DTXSID30876311
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 485
Experimental & physicochemical properties
LogP1.32
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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