Basic information
- CAS
852847-37-1- Standard SMILES
Cc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCCC3)cn2)cc1- InChIKey
DLRCUQUYNLALOF-UHFFFAOYSA-N- Molecular formula
- C18H23N3O2S
- Average molar mass
- 345.5 g/mol
- Monoisotopic mass
- 345.15109816
Names & identifiers
- Preferred name
- N-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
- IUPAC
- N-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
Names & synonyms
N-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amineMLS002248773CHEMBL1712041DTXSID901332493HMS1743D19AKOS034152682852847-37-1SMR001316232Z31142959N-methyl-N-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-sulfonyl)pyridin-2-amine
Database identifiers
- CAS
852847-37-1- PubChem CID
- 4786643
- DTXSID
DTXSID901332493- ChEMBL
CHEMBL1712041
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 491
Experimental & physicochemical properties
Solubility12.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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