2-[1-(1-Naphthylsulfonyl)-4-piperidinyl]-1,3-benzothiazole
Basic information
- CAS
605629-40-1- Standard SMILES
O=S(=O)(c1cccc2ccccc12)N1CCC(c2nc3ccccc3s2)CC1- InChIKey
JBBSYGUMDGPRFC-UHFFFAOYSA-N- Molecular formula
- C22H20N2O2S2
- Average molar mass
- 408.5 g/mol
Names & identifiers
- Preferred name
- 2-[1-(1-Naphthylsulfonyl)-4-piperidinyl]-1,3-benzothiazole
- IUPAC
- 2-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)-1,3-benzothiazole
- English name
- Piperidine, 4-(2-benzothiazolyl)-1-(1-naphthalenylsulfonyl)- (9CI)
- Molecular formula
- C22H20N2O2S2
- Molecular weight
- 408.54
Names & synonyms
605629-40-12-[1-(1-Naphthylsulfonyl)-4-piperidinyl]-1,3-benzothiazoleBenzothiazole, 2-[1-(1-naphthalenylsulfonyl)-4-piperidinyl]-Piperidine, 4-(2-benzothiazolyl)-1-(1-naphthalenylsulfonyl)- (9CI)
Database identifiers
- CAS
605629-40-1
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 641
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Compound notes
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