N-{3-[5-(2-Chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]phenyl}-5-fluoro-2-(methyloxy)benzenesulfonamide

HCID 57989934

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2nc(C(C)C)sc2-c2ccnc(Cl)n2)c1
InChIKey: UUPPBQAXPUKQTR-UHFFFAOYSA-N
Molecular formula: C23H20ClFN4O3S2
Average molar mass: 519 g/mol

Names & identifiers

Preferred name: N-{3-[5-(2-Chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]phenyl}-5-fluoro-2-(methyloxy)benzenesulfonamide
IUPAC: N-[3-[5-(2-chloropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]-5-fluoro-2-methoxybenzenesulfonamide

Names & synonyms

SCHEMBL2191935UUPPBQAXPUKQTR-UHFFFAOYSA-NN-{3-[5-(2-Chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]phenyl}-5-fluoro-2-(methyloxy)benzenesulfonamide

Database identifiers

PubChem CID: 57989934

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 131 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 7
Heavy atoms: 34
Formal charge: 0
Complexity: 774

Related reactions

11 records

New reaction record

HRID 150614As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 239332As productuspto-grants-2014_02

HRID 239333As reactantuspto-grants-2014_02

HRID 590105As productuspto-grants-2016_01

HRID 590106As reactantuspto-grants-2016_01

HRID 702362As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1671001As productuspto-grants-2011_08

HRID 1671002As reactantuspto-grants-2011_08

Compound notes

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