N-[4-(benzenesulfonamido)-5-(benzenesulfonyl)-2-chlorophenyl]benzenesulfonamide

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Basic information

CAS: 7149-04-4
Standard SMILES: O=S(=O)(Nc1cc(S(=O)(=O)c2ccccc2)c(NS(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1
InChIKey: DDSZSTUPXTWDFK-UHFFFAOYSA-N
Molecular formula: C24H19ClN2O6S3
Average molar mass: 563.1 g/mol
Monoisotopic mass: 562.0093775

Names & identifiers

Preferred name: N-[4-(benzenesulfonamido)-5-(benzenesulfonyl)-2-chlorophenyl]benzenesulfonamide
IUPAC: N-[4-(benzenesulfonamido)-5-(benzenesulfonyl)-2-chlorophenyl]benzenesulfonamide

Names & synonyms

7149-04-4NSC51693N-[4-(benzenesulfonamido)-5-(benzenesulfonyl)-2-chlorophenyl]benzenesulfonamideDTXSID60328757NSC-51693N,N'-[2-(Benzenesulfonyl)-5-chloro-1,4-phenylene]dibenzenesulfonamide

Database identifiers

CAS: 7149-04-4
PubChem CID: 413741
DTXSID: DTXSID60328757

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 152 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 36
Formal charge: 0
Complexity: 1,030

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Compound notes

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