Basic information
- CAS
827593-21-5- Standard SMILES
O=S(=O)(Nc1ncn(Cc2cccc(Cl)c2)n1)c1ccc(Br)s1- InChIKey
SDBPJAUKHQFPDM-UHFFFAOYSA-N- Molecular formula
- C13H10BrClN4O2S2
- Average molar mass
- 433.7 g/mol
- Monoisotopic mass
- 431.91171
Names & identifiers
- Preferred name
- 5-bromo-N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
- IUPAC
- 5-bromo-N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
Names & synonyms
827593-21-55-Bromo-N-[1-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-2-thiophenesulfonamide5-Bromo-N-{1-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}thiophene-2-sulfonamide5-bromo-N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamideDTXSID801129742STK303438AKOS0039598745-bromo-N-[1-(3-chlorobenzyl)-1H-1,2,4-triazol-3-yl]thiophene-2-sulfonamideST094236[(5-bromo(2-thienyl))sulfonyl]{1-[(3-chlorophenyl)methyl](1,2,4-triazol-3-yl)} amine5-bromo-N-[1-(3-chlorobenzyl)-1H-1,2,4-triazol-3-yl]-2-thiophenesulfonamide
Database identifiers
- CAS
827593-21-5- PubChem CID
- 4768993
- DTXSID
DTXSID801129742
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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