N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1-methylpyrrole-2-carboxamide
Basic information
- CAS
877240-30-7- Standard SMILES
Cn1cccc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1- InChIKey
QIDINWRZKHSEDW-UHFFFAOYSA-N- Molecular formula
- C17H20ClN3O3S
- Average molar mass
- 381.9 g/mol
- Monoisotopic mass
- 381.0913904
Names & identifiers
- Preferred name
- N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1-methylpyrrole-2-carboxamide
- IUPAC
- N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1-methylpyrrole-2-carboxamide
Names & synonyms
MLS002252901CHEMBL1572940DTXSID901332324HMS3053I09AKOS034134074N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1-methylpyrrole-2-carboxamideSMR001315235Z30459244N-[4-chloro-3-(piperidine-1-sulfonyl)phenyl]-1-methyl-1H-pyrrole-2-carboxamide877240-30-7
Database identifiers
- CAS
877240-30-7- PubChem CID
- 9103361
- DTXSID
DTXSID901332324- ChEMBL
CHEMBL1572940
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 574
Experimental & physicochemical properties
Solubility8.7 [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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