553650-48-9
(S)-6-CHLORO-N-(1-(3-FLUORO-2'-(METHYLSULFONYL)-[1,1'-BIPHENYL]-4-YL)-2-OXOPYRROLIDIN-3-YL)NAPHTHALENE-2-SULFONAMIDE
Name(S)-6-CHLORO-N-(1-(3-FLUORO-2'-(METHYLSULFONYL)-[1,1'-BIPHENYL]-4-YL)-2-OXOPYRROLIDIN-3-YL)NAPHTHALENE-2-SULFONAMIDE
pro_formulaC27 H22 Cl F N2 O5 S2
1Identification
【Name】
(S)-6-CHLORO-N-(1-(3-FLUORO-2'-(METHYLSULFONYL)-[1,1'-BIPHENYL]-4-YL)-2-OXOPYRROLIDIN-3-YL)NAPHTHALENE-2-SULFONAMIDE
【CAS】
【MDL】
MFCD18206870
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C27 H22 Cl F N2 O5 S2
【pro_molWeight】
573.063
【Inchi】
InChI=1S/C27H22ClFN2O5S2/c1-37(33,34)26-5-3-2-4-22(26)19-8-11-25(23(29)16-19)31-13-12-24(27(31)32)30-38(35,36)21-10-7-17-14-20(28)9-6-18(17)15-21/h2-11,14-16,24,30H,12-13H2,1H3/t24-/m0/s1
【InChIKey】
InChIKey=CADWTJXIMYKCPI-DEOSSOPVSA-N
【SMILES】
CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl
【MOL File】
(S)-6-CHLORO-N-(1-(3….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:7
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(S)-6-CHLORO-N-(1-(3-FLUORO-2'-(METHYLSULFONYL)-[1,1'-BIPHENYL]-4-YL)-2-OXOPYRROLIDIN-3-YL)NAPHTHALENE-2-SULFONAMIDE.cml