Basic information
- CAS
62268-35-3- Standard SMILES
CCN(CC)CCCC(C)NC1=C(Cl)S(=O)(=O)c2ccccc21- InChIKey
QCTDFTPVWGMFEM-UHFFFAOYSA-N- Molecular formula
- C17H25ClN2O2S
- Average molar mass
- 356.9 g/mol
- Monoisotopic mass
- 356.1325269
Names & identifiers
- Preferred name
- Benzo(b)thiophene, 2-chloro-3-((5-(diethylamino)-2-pentyl)amino)-, 1,1-dioxide
- IUPAC
- 4-N-(2-chloro-1,1-dioxo-1-benzothiophen-3-yl)-1-N,1-N-diethylpentane-1,4-diamine
Names & synonyms
BRN 13936742-Chloro-3-((5-(diethylamino)-2-pentyl)amino)benzo(b)thiophene 1,1-dioxide62268-35-3BENZO(b)THIOPHENE, 2-CHLORO-3-((5-(DIETHYLAMINO)-2-PENTYL)AMINO)-, 1,1-DIOXIDERefChem:326185DTXSID709778362-Chloro-3-{[5-(diethylamino)pentan-2-yl]amino}-1H-1-benzothiophene-1,1-dione2-Chloro-3-{[5-(diethylamino)pentan-2-yl]amino}-1H-1lambda~6~-benzothiophene-1,1-dione
Database identifiers
- CAS
62268-35-3- PubChem CID
- 43973
- DTXSID
DTXSID70977836
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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