4-[[[4-[(4-Methyl-1-piperidinyl)sulfonyl]phenyl]imino]methyl]-1,3-benzenediol
Basic information
- CAS
349619-74-5- Standard SMILES
CC1CCN(S(=O)(=O)c2ccc(N=Cc3ccc(O)cc3O)cc2)CC1- InChIKey
OPMVHSZCKDHLEB-UHFFFAOYSA-N- Molecular formula
- C19H22N2O4S
- Average molar mass
- 374.5 g/mol
- Monoisotopic mass
- 374.13002836
Names & identifiers
- Preferred name
- 4-[[[4-[(4-Methyl-1-piperidinyl)sulfonyl]phenyl]imino]methyl]-1,3-benzenediol
- IUPAC
- 4-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]iminomethyl]benzene-1,3-diol
Names & synonyms
Oprea1_336716DTXSID101138837AKOS003411457349619-74-54-({[4-(4-Methylpiperidine-1-sulfonyl)phenyl]imino}methyl)benzene-1,3-diol4-[[[4-[(4-Methyl-1-piperidinyl)sulfonyl]phenyl]imino]methyl]-1,3-benzenediol
Database identifiers
- CAS
349619-74-5- PubChem CID
- 5164528
- DTXSID
DTXSID101138837
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 573
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Compound notes
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