788807-49-8
1-(4-CHLORO-7-(PHENYLSULFONYL)ISOQUINOLIN-1-YL)GUANIDINE
Name1-(4-CHLORO-7-(PHENYLSULFONYL)ISOQUINOLIN-1-YL)GUANIDINE
FormulaC16 H13 Cl N4 O2 S
1Identification
【Name】
1-(4-CHLORO-7-(PHENYLSULFONYL)ISOQUINOLIN-1-YL)GUANIDINE
【CAS】
【MDL】
MFCD11100846
【English Synonyms】
【Formula】
C16 H13 Cl N4 O2 S
【MolWeight】
360.824
【Inchi】
InChI=1S/C16H13ClN4O2S/c17-14-9-20-15(21-16(18)19)13-8-11(6-7-12(13)14)24(22,23)10-4-2-1-3-5-10/h1-9H,(H4,18,19,20,21)
【InChIKey】
InChIKey=RFKKRFPXGHPURP-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)S(=O)(=O)c2ccc3c(c2)c(ncc3Cl)NC(=N)N
【MOL File】
1-(4-CHLORO-7-(PHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-CHLORO-7-(PHENYLSULFONYL)ISOQUINOLIN-1-YL)GUANIDINE.cml