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2,4-dichloro-N-{4-cyclopropanecarbonyl-5-[4-(piperidine-1-sulfonyl)-phenylsulfanyl]-pyridin-2-yl}-benzenesulfonamide

HCID 57718285
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ncc1Sc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CC1
InChIKey
KFPLKZKDHFIYOG-UHFFFAOYSA-N
Molecular formula
C26H25Cl2N3O5S3
Average molar mass
626.6 g/mol

Names & identifiers

Preferred name
2,4-dichloro-N-{4-cyclopropanecarbonyl-5-[4-(piperidine-1-sulfonyl)-phenylsulfanyl]-pyridin-2-yl}-benzenesulfonamide
IUPAC
2,4-dichloro-N-[4-(cyclopropanecarbonyl)-5-(4-piperidin-1-ylsulfonylphenyl)sulfanyl-2-pyridinyl]benzenesulfonamide

Names & synonyms

SCHEMBL1268959KFPLKZKDHFIYOG-UHFFFAOYSA-N2,4-dichloro-N-{4-cyclopropanecarbonyl-5-[4-(piperidine-1-sulfonyl)-phenylsulfanyl]-pyridin -2-yl}-benzenesulfonamide2,4-dichloro-N-{4-cyclopropanecarbonyl-5-[4-(piperidine-1-sulfonyl)-phenylsulfanyl]-pyridin-2-yl}-benzenesulfonamide

Database identifiers

PubChem CID
57718285

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
156 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
39
Formal charge
0
Complexity
1,070

Related reactions

3 records
New reaction record
HRID 313349 reaction equation
HRID 313349As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1366860 reaction equation
HRID 1366860As productuspto-grants-2011_02
HRID 1984611 reaction equation
HRID 1984611As productuspto-grants-2009_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes