Basic information
- CAS
701952-61-6- Standard SMILES
COc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccccn1- InChIKey
YUVATKQDYAWWKS-UHFFFAOYSA-N- Molecular formula
- C14H15ClN2O3S
- Average molar mass
- 326.8 g/mol
- Monoisotopic mass
- 326.0491912
Names & identifiers
- Preferred name
- 5-chloro-2-methoxy-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
- IUPAC
- 5-chloro-2-methoxy-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
- English name
- 5-chloro-2-methoxy-4-methyl-N-(2-pyridinylmethyl)benzenesulfonamide
- Molecular formula
- C14H15ClN2O3S
- Molecular weight
- 326.7985
Names & synonyms
701952-61-65-chloro-2-methoxy-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide5-Chloro-2-methoxy-4-methyl-N-pyridin-2-ylmethyl-benzenesulfonamideF1639-02205-chloro-2-methoxy-4-methyl-N-[(pyridin-2-yl)methyl]benzene-1-sulfonamideCBKinase1_006302CBKinase1_018702MLS001205488CHEMBL1452588DTXSID001323829SMSSF-04287835-chloro-2-methoxy-4-methyl-N-(2-pyridinylmethyl)benzenesulfonamide
Show more names
AKOS000600880SMR000524173ST50284694VU0489420-1AP-263/42373550BRD-K73121016-001-01-1Z1346478497[(2-pyridyl)methyl](5-chloro-2-methoxy-4-tolylsulfonyl)amine
Database identifiers
- CAS
701952-61-6- PubChem CID
- 970502
- DTXSID
DTXSID001323829- ChEMBL
CHEMBL1452588
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 426
Experimental & physicochemical properties
Solubility34.5 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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