(E)-3-(isopropylsulfonyl)-N-(4-(phenyldiazenyl)phenyl)benzamide

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Basic information

CAS: 1003261-24-2
Standard SMILES: CC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)c1
InChIKey: JSEHMHAVOZDZNS-UHFFFAOYSA-N
Molecular formula: C22H21N3O3S
Average molar mass: 407.5 g/mol
Monoisotopic mass: 407.13036271

Names & identifiers

Preferred name: (E)-3-(isopropylsulfonyl)-N-(4-(phenyldiazenyl)phenyl)benzamide
IUPAC: N-(4-phenyldiazenylphenyl)-3-propan-2-ylsulfonylbenzamide

Names & synonyms

DTXSID201039008(E)-3-(isopropylsulfonyl)-N-(4-(phenyldiazenyl)phenyl)benzamide1003261-24-2F2831-0187Benzamide, 3-[(1-methylethyl)sulfonyl]-N-[4-[(1E)-2-phenyldiazenyl]phenyl]-

Database identifiers

CAS: 1003261-24-2
PubChem CID: 8701233
DTXSID: DTXSID201039008

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 96.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 29
Formal charge: 0
Complexity: 657

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