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

C46H44BrF2N9O6S2 — CID 159634767

IUPAC6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-6-(methylamino)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;methane
SMILESC.CNS(=O)(=O)c1ccc(CNC(=O)c2cc(Br)cc3c2cnn3-c2ccc(F)cc2)cc1.CNc1cc(C(=O)NCc2ccc(S(=O)(=O)NC)cc2)c2cnn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C23H22FN5O3S.C22H18BrFN4O3S.CH4/c1-25-17-11-20(21-14-28-29(22(21)12-17)18-7-5-16(24)6-8-18)23(30)27-13-15-3-9-19(10-4-15)33(31,32)26-2;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;/h3-12,14,25-26H,13H2,1-2H3,(H,27,30);2-11,13,25H,12H2,1H3,(H,26,29);1H4
InChIKeyMPPCGZYWUVQOSW-UHFFFAOYSA-N
MW1000.95 g/mol
LogP7.45
Rot. Bonds13

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

6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-6-(methylamino)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;methane (PubChem CID 159634767) has the molecular formula C46H44BrF2N9O6S2 and a molecular weight of 1000.95 g/mol. Its IUPAC name is 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-6-(methylamino)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;methane.

Molecular Properties

Compound Name6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-6-(methylamino)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;methane
PubChem CID159634767
Molecular FormulaC46H44BrF2N9O6S2
Molecular Weight1000.95 g/mol
Exact Mass999.20
IUPAC Name6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-6-(methylamino)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;methane
SMILESC.CNS(=O)(=O)c1ccc(CNC(=O)c2cc(Br)cc3c2cnn3-c2ccc(F)cc2)cc1.CNc1cc(C(=O)NCc2ccc(S(=O)(=O)NC)cc2)c2cnn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C23H22FN5O3S.C22H18BrFN4O3S.CH4/c1-25-17-11-20(21-14-28-29(22(21)12-17)18-7-5-16(24)6-8-18)23(30)27-13-15-3-9-19(10-4-15)33(31,32)26-2;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;/h3-12,14,25-26H,13H2,1-2H3,(H,27,30);2-11,13,25H,12H2,1H3,(H,26,29);1H4
InChIKeyMPPCGZYWUVQOSW-UHFFFAOYSA-N
XLogP7.45
TPSA198.21 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001000.95
LogP ≤ 57.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-6-(methylamino)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;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;1-(4-fluorophenyl)-6-(methylamino)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;methane?
The IUPAC name of 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-6-(methylamino)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;methane (CID 159634767) is 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-6-(methylamino)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;methane.
What is the SMILES notation for 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-6-(methylamino)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;methane?
The canonical SMILES for 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-6-(methylamino)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;methane is C.CNS(=O)(=O)c1ccc(CNC(=O)c2cc(Br)cc3c2cnn3-c2ccc(F)cc2)cc1.CNc1cc(C(=O)NCc2ccc(S(=O)(=O)NC)cc2)c2cnn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-6-(methylamino)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;methane?
The InChIKey is MPPCGZYWUVQOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3S.C22H18BrFN4O3S.CH4/c1-25-17-11-20(21-14-28-29(22(21)12-17)18-7-5-16(24)6-8-18)23(30)27-13-15-3-9-19(10-4-15)33(31,32)26-2;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;/h3-12,14,25-26H,13H2,1-2H3,(H,27,30);2-11,13,25H,12H2,1H3,(H,26,29);1H4.
What are the key properties of 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-6-(methylamino)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;methane?
6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;1-(4-fluorophenyl)-6-(methylamino)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;methane has a molecular weight of 1000.95 g/mol, XLogP of 7.45, 13 rotatable bonds, 5 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;1-(4-fluorophenyl)-6-(methylamino)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide;methane is sourced from PubChem (CID 159634767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).