N-[3-(4-Amino-7-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-3,5-dichloro-benzenesulfonamide

HCID 67219958

Notes Reactions

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Basic information

Standard SMILES: Nc1ncnc2c1c(C(=O)c1cccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)c1)cn2C1CCNCC1
InChIKey: KCRKCFCBYQYWNO-UHFFFAOYSA-N
Molecular formula: C24H22Cl2N6O3S
Average molar mass: 545.4 g/mol

Names & identifiers

Preferred name: N-[3-(4-Amino-7-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-3,5-dichloro-benzenesulfonamide
IUPAC: N-[3-(4-amino-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3,5-dichlorobenzenesulfonamide

Names & synonyms

SCHEMBL1941676KCRKCFCBYQYWNO-UHFFFAOYSA-NN-[3-(4-Amino-7-piperidin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-3,5-dichloro-benzenesulfonamide

Database identifiers

PubChem CID: 67219958

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 140 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 36
Formal charge: 0
Complexity: 876

Related reactions

2 records

New reaction record

HRID 916792As productuspto-grants-2007_09

HRID 951592As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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