6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;deuterio(fluoro)methane

C46H39BrF3N9O6S2 — CID 159088953

IUPAC6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;deuterio(fluoro)methane
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2cc(Br)cc3c2cnn3-c2ccc(F)cc2)cc1.CNS(=O)(=O)c1ccc(CNC(=O)c2cc(C#N)cc3c2cnn3-c2ccc(F)cc2)cc1.[2H]CF
InChIInChI=1S/C23H18FN5O3S.C22H18BrFN4O3S.CH3F/c1-26-33(31,32)19-8-2-15(3-9-19)13-27-23(30)20-10-16(12-25)11-22-21(20)14-28-29(22)18-6-4-17(24)5-7-18;1-25-32(30,31)18-8-2-14(3-9-18)12-26-22(29)19-10-15(23)11-21-20(19)13-27-28(21)17-6-4-16(24)5-7-17;1-2/h2-11,14,26H,13H2,1H3,(H,27,30);2-11,13,25H,12H2,1H3,(H,26,29);1H3/i;;1D
InChIKeyKBURZXUTSSRRIL-PRQZKWGPSA-N
MW1015.91 g/mol
LogP7.23
Rot. Bonds12

About 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;deuterio(fluoro)methane

6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;deuterio(fluoro)methane (PubChem CID 159088953) has the molecular formula C46H39BrF3N9O6S2 and a molecular weight of 1015.91 g/mol. Its IUPAC name is 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;deuterio(fluoro)methane.

Molecular Properties

Compound Name6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;deuterio(fluoro)methane
PubChem CID159088953
Molecular FormulaC46H39BrF3N9O6S2
Molecular Weight1015.91 g/mol
Exact Mass1014.17
IUPAC Name6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;deuterio(fluoro)methane
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2cc(Br)cc3c2cnn3-c2ccc(F)cc2)cc1.CNS(=O)(=O)c1ccc(CNC(=O)c2cc(C#N)cc3c2cnn3-c2ccc(F)cc2)cc1.[2H]CF
InChIInChI=1S/C23H18FN5O3S.C22H18BrFN4O3S.CH3F/c1-26-33(31,32)19-8-2-15(3-9-19)13-27-23(30)20-10-16(12-25)11-22-21(20)14-28-29(22)18-6-4-17(24)5-7-18;1-25-32(30,31)18-8-2-14(3-9-18)12-26-22(29)19-10-15(23)11-21-20(19)13-27-28(21)17-6-4-16(24)5-7-17;1-2/h2-11,14,26H,13H2,1H3,(H,27,30);2-11,13,25H,12H2,1H3,(H,26,29);1H3/i;;1D
InChIKeyKBURZXUTSSRRIL-PRQZKWGPSA-N
XLogP7.23
TPSA209.97 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001015.91
LogP ≤ 57.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;deuterio(fluoro)methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;deuterio(fluoro)methane?
The IUPAC name of 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;deuterio(fluoro)methane (CID 159088953) is 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;deuterio(fluoro)methane.
What is the SMILES notation for 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;deuterio(fluoro)methane?
The canonical SMILES for 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;deuterio(fluoro)methane is CNS(=O)(=O)c1ccc(CNC(=O)c2cc(Br)cc3c2cnn3-c2ccc(F)cc2)cc1.CNS(=O)(=O)c1ccc(CNC(=O)c2cc(C#N)cc3c2cnn3-c2ccc(F)cc2)cc1.[2H]CF.
What is the InChIKey of 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;deuterio(fluoro)methane?
The InChIKey is KBURZXUTSSRRIL-PRQZKWGPSA-N. The full InChI is InChI=1S/C23H18FN5O3S.C22H18BrFN4O3S.CH3F/c1-26-33(31,32)19-8-2-15(3-9-19)13-27-23(30)20-10-16(12-25)11-22-21(20)14-28-29(22)18-6-4-17(24)5-7-18;1-25-32(30,31)18-8-2-14(3-9-18)12-26-22(29)19-10-15(23)11-21-20(19)13-27-28(21)17-6-4-16(24)5-7-17;1-2/h2-11,14,26H,13H2,1H3,(H,27,30);2-11,13,25H,12H2,1H3,(H,26,29);1H3/i;;1D.
What are the key properties of 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;deuterio(fluoro)methane?
6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;deuterio(fluoro)methane has a molecular weight of 1015.91 g/mol, XLogP of 7.23, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;6-cyano-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;deuterio(fluoro)methane is sourced from PubChem (CID 159088953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).