N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide

HCID 3979362

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Basic information

CAS: 775307-38-5
Standard SMILES: CSc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIKey: SYJLRTCDPMETOF-UHFFFAOYSA-N
Molecular formula: C19H23N3O3S2
Average molar mass: 405.5 g/mol
Monoisotopic mass: 405.11808395

Names & identifiers

Preferred name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
IUPAC: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide

Names & synonyms

775307-38-5N-(3-(Azepan-1-ylsulfonyl)phenyl)-2-(methylthio)nicotinamideN-[3-(azepane-1-sulfonyl)phenyl]-2-(methylsulfanyl)pyridine-3-carboxamidestarbld0008509N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamideMLS002244923CHEMBL1723595DTXSID301332326HMS3050L16AKOS033966855SMR001308596EN300-26607919

Show more names

Z26520917

Database identifiers

CAS: 775307-38-5
PubChem CID: 3979362
DTXSID: DTXSID301332326
ChEMBL: CHEMBL1723595

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 113 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 585

Experimental & physicochemical properties

Solubility11.2 [ug/mL] (The mean of the results at pH 7.4)

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