4-(1,4-Dioxa-8-azaspiro[4.5]decane-8-sulfonyl)benzene-1-sulfonamide
Basic information
- CAS
55619-38-0- Standard SMILES
NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1- InChIKey
VVOIWTSIZYHAFU-UHFFFAOYSA-N- Molecular formula
- C13H18N2O6S2
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.06062865
Names & identifiers
- Preferred name
- 4-(1,4-Dioxa-8-azaspiro[4.5]decane-8-sulfonyl)benzene-1-sulfonamide
- IUPAC
- 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzenesulfonamide
Names & synonyms
55619-38-0CHEMBL3247053DTXSID807875694-(1,4-Dioxa-8-azaspiro[4.5]decane-8-sulfonyl)benzene-1-sulfonamide
Database identifiers
- CAS
55619-38-0- PubChem CID
- 71364073
- DTXSID
DTXSID80787569- ChEMBL
CHEMBL3247053
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 612
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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