Basic information
- CAS
79406-75-0- Standard SMILES
NCC(O)c1ccc(Cl)c(S(N)(=O)=O)c1- InChIKey
BIRMKLDLCBUZEU-UHFFFAOYSA-N- Molecular formula
- C8H11ClN2O3S
- Average molar mass
- 250.7 g/mol
- Monoisotopic mass
- 250.0178911
Overview
structure given in first source
Names & identifiers
- Preferred name
- SK&F 29029
- IUPAC
- 5-(2-amino-1-hydroxyethyl)-2-chlorobenzenesulfonamide
Names & synonyms
79406-75-0SK&F 29029Skf 29029SK&F-29029RefChem:183292Benzenesulfonamide, 5-(2-amino-1-hydroxyethyl)-2-chloro-5-(2-amino-1-hydroxyethyl)-2-chlorobenzenesulfonamideSCHEMBL11375961DTXSID3010004564-Chloro-3-sulfamyl-alpha-aminomethylbenzyl alcohol5-(2-Amino-1-hydroxyethyl)-2-chlorobenzene-1-sulfonamide
Database identifiers
- CAS
79406-75-0- PubChem CID
- 133201
- DTXSID
DTXSID301000456
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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