3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
Basic information
- CAS
690245-46-6- Standard SMILES
O=C(c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)N1CCCCC1- InChIKey
PSQUELAMSHLVKP-UHFFFAOYSA-N- Molecular formula
- C19H21ClN2O3S
- Average molar mass
- 392.9 g/mol
- Monoisotopic mass
- 392.0961414
Names & identifiers
- Preferred name
- 3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
- IUPAC
- 3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
Names & synonyms
690245-46-63-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide3-chloro-N-{[4-(piperidine-1-carbonyl)phenyl]methyl}benzene-1-sulfonamideCHEMBL5612073-chloro-N-[4-(1-piperidinylcarbonyl)benzyl]benzenesulfonamideF3394-09163-Chloro-N-[4-(piperidine-1-carbonyl)benzyl]benzenesulfonamide3-chloro-N-(4-(piperidine-1-carbonyl)benzyl)benzenesulfonamideMLS001147750DTXSID001328467HMS2986M06SMSSF-0027959
Show more names
BDBM50297921EBC-07519AKOS000812793CCG-355756SMR000673170EN300-26868314Z133904856{p-[(m-chlorophenylsulfonylamino)methyl]phenyl}piperidinomethanone
Database identifiers
- CAS
690245-46-6- PubChem CID
- 984480
- DTXSID
DTXSID001328467- ChEMBL
CHEMBL561207
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 564
Experimental & physicochemical properties
Solubility2.6 [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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