Basic information
- CAS
165117-67-9- Standard SMILES
COc1ccc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)s2)cc1- InChIKey
LRRAIRJIZOLGPR-UHFFFAOYSA-N- Molecular formula
- C12H14N2O5S3
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.00648507
Names & identifiers
- Preferred name
- AL5927
- IUPAC
- 2-N-[(4-methoxyphenyl)methyl]thiophene-2,5-disulfonamide
Names & synonyms
AL5927N2-((4-methoxyphenyl)methyl)thiophene-2,5-disulfonamideN2-[(4-methoxyphenyl)methyl]thiophene-2,5-disulfonamideRefChem:553226n-[(4-methoxyphenyl)methyl]2,5-thiophenedesulfonamide2-N-[(4-methoxyphenyl)methyl]thiophene-2,5-disulfonamide1bn42,5-Thiophenedisulfonamide, N2-[(4-methoxyphenyl)methyl]-8SG8AQ7WNEN-(4-methoxybenzyl)thiophene-2,5-disulfonamide165117-67-9AL9
Show more names
SCHEMBL680127BDBM11930AL-5927DB03526NS00068981Q27094465N2-[(4-Methoxyphenyl)methyl]-2,5-thiophenedisulfonamide2,5-Thiophenedisulfonamide N2-[(4-methoxyphenyl)methyl]-
Database identifiers
- CAS
165117-67-9- PubChem CID
- 4316
- UNII
- 8SG8AQ7WNE
- Nikkaji
- J2.890.579C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 559
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…