Completing data — usually done within a minute
Basic information
- CAS
518053-42-4- Standard SMILES
O=S(=O)(Nc1ccc(O)c2ccccc12)c1cccs1- InChIKey
PGMYLDPZRWWFCZ-UHFFFAOYSA-N- Molecular formula
- C14H11NO3S2
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.01803556
Names & identifiers
- Preferred name
- N-(4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide
- IUPAC
- N-(4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide
Names & synonyms
N-(4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide518053-42-4MLS001221393N-(4-hydroxy-1-naphthyl)-2-thiophenesulfonamideSMR000612136Thiophene-2-sulfonic acid (4-hydroxy-naphthalen-1-yl)-amidecid_697391SCHEMBL2247197CHEMBL1342041BDBM80732PGMYLDPZRWWFCZ-UHFFFAOYSA-NDTXSID301332926
Show more names
HMS2924I03AKOS000594096N-(4-hydroxy-1-naphthyl)thiophene-2-sulfonamideAP-906/41640183N-(4-hydroxy-1-naphthalenyl)-2-thiophenesulfonamideN-(4-oxidanylnaphthalen-1-yl)thiophene-2-sulfonamideF1269-0260
Database identifiers
- CAS
518053-42-4- PubChem CID
- 697391
- DTXSID
DTXSID301332926- ChEMBL
CHEMBL1342041
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 434
Experimental & physicochemical properties
Solubility24.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
8 records
Compound notes
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