1-[[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-methylsulfonylamino]-N-(8-fluoro-3-methyl-1-phenylimidazo[1,5-a]quinoxalin-4-yl)methanesulfonamide

C36H27ClF2N8O4S2 — CID 68732452

IUPAC1-[[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-methylsulfonylamino]-N-(8-fluoro-3-methyl-1-phenylimidazo[1,5-a]quinoxalin-4-yl)methanesulfonamide
SMILESCc1nc(-c2ccccc2)n2c1c(NS(=O)(=O)CN(c1nc3ccc(F)cc3n3c(-c4ccccc4Cl)nc(C)c13)S(C)(=O)=O)nc1ccc(F)cc12
InChIInChI=1S/C36H27ClF2N8O4S2/c1-20-31-33(42-27-15-13-23(38)17-29(27)46(31)34(40-20)22-9-5-4-6-10-22)44-53(50,51)19-45(52(3,48)49)36-32-21(2)41-35(25-11-7-8-12-26(25)37)47(32)30-18-24(39)14-16-28(30)43-36/h4-18H,19H2,1-3H3,(H,42,44)
InChIKeyUYVPOKCZEUDYHP-UHFFFAOYSA-N
MW773.25 g/mol
LogP7.13
Rot. Bonds8

About 1-[[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-methylsulfonylamino]-N-(8-fluoro-3-methyl-1-phenylimidazo[1,5-a]quinoxalin-4-yl)methanesulfonamide

1-[[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-methylsulfonylamino]-N-(8-fluoro-3-methyl-1-phenylimidazo[1,5-a]quinoxalin-4-yl)methanesulfonamide (PubChem CID 68732452) has the molecular formula C36H27ClF2N8O4S2 and a molecular weight of 773.25 g/mol. Its IUPAC name is 1-[[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-methylsulfonylamino]-N-(8-fluoro-3-methyl-1-phenylimidazo[1,5-a]quinoxalin-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1-[[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-methylsulfonylamino]-N-(8-fluoro-3-methyl-1-phenylimidazo[1,5-a]quinoxalin-4-yl)methanesulfonamide
PubChem CID68732452
Molecular FormulaC36H27ClF2N8O4S2
Molecular Weight773.25 g/mol
Exact Mass772.13
IUPAC Name1-[[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-methylsulfonylamino]-N-(8-fluoro-3-methyl-1-phenylimidazo[1,5-a]quinoxalin-4-yl)methanesulfonamide
SMILESCc1nc(-c2ccccc2)n2c1c(NS(=O)(=O)CN(c1nc3ccc(F)cc3n3c(-c4ccccc4Cl)nc(C)c13)S(C)(=O)=O)nc1ccc(F)cc12
InChIInChI=1S/C36H27ClF2N8O4S2/c1-20-31-33(42-27-15-13-23(38)17-29(27)46(31)34(40-20)22-9-5-4-6-10-22)44-53(50,51)19-45(52(3,48)49)36-32-21(2)41-35(25-11-7-8-12-26(25)37)47(32)30-18-24(39)14-16-28(30)43-36/h4-18H,19H2,1-3H3,(H,42,44)
InChIKeyUYVPOKCZEUDYHP-UHFFFAOYSA-N
XLogP7.13
TPSA143.93 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.25
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-methylsulfonylamino]-N-(8-fluoro-3-methyl-1-phenylimidazo[1,5-a]quinoxalin-4-yl)methanesulfonamide?
The IUPAC name of 1-[[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-methylsulfonylamino]-N-(8-fluoro-3-methyl-1-phenylimidazo[1,5-a]quinoxalin-4-yl)methanesulfonamide (CID 68732452) is 1-[[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-methylsulfonylamino]-N-(8-fluoro-3-methyl-1-phenylimidazo[1,5-a]quinoxalin-4-yl)methanesulfonamide.
What is the SMILES notation for 1-[[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-methylsulfonylamino]-N-(8-fluoro-3-methyl-1-phenylimidazo[1,5-a]quinoxalin-4-yl)methanesulfonamide?
The canonical SMILES for 1-[[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-methylsulfonylamino]-N-(8-fluoro-3-methyl-1-phenylimidazo[1,5-a]quinoxalin-4-yl)methanesulfonamide is Cc1nc(-c2ccccc2)n2c1c(NS(=O)(=O)CN(c1nc3ccc(F)cc3n3c(-c4ccccc4Cl)nc(C)c13)S(C)(=O)=O)nc1ccc(F)cc12.
What is the InChIKey of 1-[[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-methylsulfonylamino]-N-(8-fluoro-3-methyl-1-phenylimidazo[1,5-a]quinoxalin-4-yl)methanesulfonamide?
The InChIKey is UYVPOKCZEUDYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27ClF2N8O4S2/c1-20-31-33(42-27-15-13-23(38)17-29(27)46(31)34(40-20)22-9-5-4-6-10-22)44-53(50,51)19-45(52(3,48)49)36-32-21(2)41-35(25-11-7-8-12-26(25)37)47(32)30-18-24(39)14-16-28(30)43-36/h4-18H,19H2,1-3H3,(H,42,44).
What are the key properties of 1-[[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-methylsulfonylamino]-N-(8-fluoro-3-methyl-1-phenylimidazo[1,5-a]quinoxalin-4-yl)methanesulfonamide?
1-[[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-methylsulfonylamino]-N-(8-fluoro-3-methyl-1-phenylimidazo[1,5-a]quinoxalin-4-yl)methanesulfonamide has a molecular weight of 773.25 g/mol, XLogP of 7.13, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-chlorophenyl)-8-fluoro-3-methylimidazo[1,5-a]quinoxalin-4-yl]-methylsulfonylamino]-N-(8-fluoro-3-methyl-1-phenylimidazo[1,5-a]quinoxalin-4-yl)methanesulfonamide is sourced from PubChem (CID 68732452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).