Basic information
- CAS
5391-72-0- Standard SMILES
Nc1ccc(S(=O)(=O)NCC2CCCCO2)cc1- InChIKey
YHWKKBJRWBAMJC-UHFFFAOYSA-N- Molecular formula
- C12H18N2O3S
- Average molar mass
- 270.35 g/mol
- Monoisotopic mass
- 270.10381361
Names & identifiers
- Preferred name
- 4-Amino-N-[(oxan-2-yl)methyl]benzene-1-sulfonamide
- IUPAC
- 4-amino-N-(oxan-2-ylmethyl)benzenesulfonamide
Names & synonyms
MLS002637672NSC31935391-72-04-Amino-N-[(oxan-2-yl)methyl]benzene-1-sulfonamideCHEMBL1870558DTXSID50976029HMS3078C13NSC-3193AKOS0108729206059-54-7SMR001547196
Database identifiers
- CAS
5391-72-0、6059-54-7- PubChem CID
- 220433
- DTXSID
DTXSID50976029- ChEMBL
CHEMBL1870558
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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