N-(5-(3-(4-Amino-6-methyl-1,3,5-triazin-2-YL)pyridin-2-ylamino)-2-chloropyridin-3-YL)-4-fluorobenzenesulfonamide

HCID 59548448

Notes Reactions

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Basic information

Standard SMILES: Cc1nc(N)nc(-c2cccnc2Nc2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)n1
InChIKey: MUNMOKXVNKEMSH-UHFFFAOYSA-N
Molecular formula: C20H16ClFN8O2S
Average molar mass: 486.9 g/mol

Names & identifiers

Preferred name: N-(5-(3-(4-Amino-6-methyl-1,3,5-triazin-2-YL)pyridin-2-ylamino)-2-chloropyridin-3-YL)-4-fluorobenzenesulfonamide
IUPAC: N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]amino]-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide

Names & synonyms

CHEMBL2206912SCHEMBL164601MUNMOKXVNKEMSH-UHFFFAOYSA-NBDBM50401270US8772480, 264N-(5-(3-(4-AMINO-6-METHYL-1,3,5-TRIAZIN-2-YL)PYRIDIN-2-YLAMINO)-2-CHLOROPYRIDIN-3-YL)-4-FLUOROBENZENESULFONAMIDE

Database identifiers

PubChem CID: 59548448
ChEMBL: CHEMBL2206912

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 157 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 11
Rotatable bonds: 6
Heavy atoms: 33
Formal charge: 0
Complexity: 738

Related reactions

3 records

New reaction record

HRID 826937As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1621786As productuspto-grants-2014_07

HRID 1812194As productuspto-grants-2013_01

Compound notes

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