N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
Basic information
- CAS
380195-41-5- Standard SMILES
Cn1nnnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl- InChIKey
XFDRBAFEFRITAT-UHFFFAOYSA-N- Molecular formula
- C15H19ClN6O3S2
- Average molar mass
- 430.9 g/mol
- Monoisotopic mass
- 430.0648585
Names & identifiers
- Preferred name
- N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
- IUPAC
- N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
Names & synonyms
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamideMLS002247989CHEMBL1886746DTXSID801332369HMS3086K24AKOS033628315380195-41-5SMR001315472Z18520339N-[2-Chloro-5-(piperidine-1-sulfonyl)phenyl]-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide
Database identifiers
- CAS
380195-41-5- PubChem CID
- 4086709
- DTXSID
DTXSID801332369- ChEMBL
CHEMBL1886746
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 613
Experimental & physicochemical properties
Solubility6 [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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