27441-70-9
SODIUM 2-[[4-[3-(4-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]PHENYL]SULPHONYL]ETHANESULPHONATE
Name
SODIUM 2-[[4-[3-(4-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]PHENYL]SULPHONYL]ETHANESULPHONATE
Formula
C17 H16 Cl N2 O5 S2 . Na
MolWeight
450.897
1Identification
【Name】
SODIUM 2-[[4-[3-(4-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]PHENYL]SULPHONYL]ETHANESULPHONATE
【CAS】
【MDL】
MFCD23142719
【English Synonyms】
【Formula】
C17 H16 Cl N2 O5 S2 . Na
【MolWeight】
450.897
【Inchi】
InChI=1S/C17H17ClN2O5S2.Na/c18-14-3-1-13(2-4-14)17-9-10-20(19-17)15-5-7-16(8-6-15)26(21,22)11-12-27(23,24)25;/h1-8H,9-12H2,(H,23,24,25);/q;+1/p-1
【InChIKey】
InChIKey=CUKVLWAEAKAWHX-UHFFFAOYSA-M
【SMILES】
c1cc(ccc1C2=NN(CC2)c3ccc(cc3)S(=O)(=O)CCS(=O)(=O)[O-])Cl.[Na+]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
SODIUM 2-[[4-[3-(4-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]PHENYL]SULPHONYL]ETHANESULPHONATE.cml
Quick Release
3-[(3,5-DIMETHYLPIPERIDIN-1-YL)CARBONYL]-5-(PROPAN-2-YL)-1H-PYRAZOL-4-AMINE
4-AMINO-5-PROPYL-N-(3-SULFAMOYLPROPYL)-1H-PYRAZOLE-3-CARBOXAMIDE
4-AMINO-N-[4-(DIMETHYLAMINO)BUTYL]-5-PROPYL-1H-PYRAZOLE-3-CARBOXAMIDE
4-AMINO-N-CYCLOHEXYL-3-CYCLOPROPYL-1H-PYRAZOLE-5-CARBOXAMIDE
3-CYCLOPROPYL-5-[(MORPHOLIN-4-YL)CARBONYL]-1H-PYRAZOL-4-AMINE
4-AMINO-N-CYCLOPENTYL-3-CYCLOPROPYL-1H-PYRAZOLE-5-CARBOXAMIDE
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