5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;5-bromo-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide

C33H30Br2F2N8O6S2 — CID 161300734

IUPAC5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;5-bromo-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide
SMILESCNC(=O)c1c2cc(Br)c(N(C)S(C)(=O)=O)cc2nn1-c1ccc(F)cc1.CNC(=O)c1c2cc(Br)c(NS(C)(=O)=O)cc2nn1-c1ccc(F)cc1
InChIInChI=1S/C17H16BrFN4O3S.C16H14BrFN4O3S/c1-20-17(24)16-12-8-13(18)15(22(2)27(3,25)26)9-14(12)21-23(16)11-6-4-10(19)5-7-11;1-19-16(23)15-11-7-12(17)14(21-26(2,24)25)8-13(11)20-22(15)10-5-3-9(18)4-6-10/h4-9H,1-3H3,(H,20,24);3-8,21H,1-2H3,(H,19,23)
InChIKeyVHOPYSMUZAPBPX-UHFFFAOYSA-N
MW896.59 g/mol
LogP5.34
Rot. Bonds8

About 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;5-bromo-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide

5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;5-bromo-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide (PubChem CID 161300734) has the molecular formula C33H30Br2F2N8O6S2 and a molecular weight of 896.59 g/mol. Its IUPAC name is 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;5-bromo-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;5-bromo-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide
PubChem CID161300734
Molecular FormulaC33H30Br2F2N8O6S2
Molecular Weight896.59 g/mol
Exact Mass894.01
IUPAC Name5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;5-bromo-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide
SMILESCNC(=O)c1c2cc(Br)c(N(C)S(C)(=O)=O)cc2nn1-c1ccc(F)cc1.CNC(=O)c1c2cc(Br)c(NS(C)(=O)=O)cc2nn1-c1ccc(F)cc1
InChIInChI=1S/C17H16BrFN4O3S.C16H14BrFN4O3S/c1-20-17(24)16-12-8-13(18)15(22(2)27(3,25)26)9-14(12)21-23(16)11-6-4-10(19)5-7-11;1-19-16(23)15-11-7-12(17)14(21-26(2,24)25)8-13(11)20-22(15)10-5-3-9(18)4-6-10/h4-9H,1-3H3,(H,20,24);3-8,21H,1-2H3,(H,19,23)
InChIKeyVHOPYSMUZAPBPX-UHFFFAOYSA-N
XLogP5.34
TPSA177.39 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.59
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

6-[3-benzamidopropyl(methylsulfonyl)amino]-2-(4-bromophenyl)-5-cyclopropyl-N-methylindazole-3-carboxamide
CID 56962451
2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]indazole-3-carboxamide
CID 56962453
2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[3-(2-methylpropanoylamino)propyl-methylsulfonylamino]indazole-3-carboxamide
CID 67512805
2-(4-bromophenyl)-5-cyclopropyl-6-[3-(methanesulfonamido)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide
CID 67513187
6-[3-acetamidopropyl(methylsulfonyl)amino]-2-(4-bromophenyl)-5-cyclopropyl-N-methylindazole-3-carboxamide
CID 67513666
2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide
CID 67517433
2-(4-bromophenyl)-6-[3-(butanoylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methylindazole-3-carboxamide
CID 69249998
2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl(3,3,3-trifluoropropyl)amino]indazole-3-carboxamide
CID 56962775
2-(4-bromophenyl)-5-cyclopropyl-6-[2-[(4-fluorophenyl)methylsulfonylamino]ethyl-methylsulfonylamino]-N-methylindazole-3-carboxamide
CID 56962846
2-(4-bromophenyl)-5-cyclopropyl-6-[ethyl(trifluoromethylsulfonyl)amino]-N-methylindazole-3-carboxamide
CID 56962854
2-(4-bromophenyl)-5-cyclopropyl-6-[difluoromethylsulfonyl(ethyl)amino]-N-methylindazole-3-carboxamide
CID 56962855
5-bromo-2-(4-fluorophenyl)-N-methyl-6-(methylsulfonamido)-2H-indazole-3-carboxamide
CID 56963167

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;5-bromo-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide?
The IUPAC name of 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;5-bromo-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide (CID 161300734) is 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;5-bromo-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;5-bromo-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide?
The canonical SMILES for 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;5-bromo-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide is CNC(=O)c1c2cc(Br)c(N(C)S(C)(=O)=O)cc2nn1-c1ccc(F)cc1.CNC(=O)c1c2cc(Br)c(NS(C)(=O)=O)cc2nn1-c1ccc(F)cc1.
What is the InChIKey of 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;5-bromo-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide?
The InChIKey is VHOPYSMUZAPBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN4O3S.C16H14BrFN4O3S/c1-20-17(24)16-12-8-13(18)15(22(2)27(3,25)26)9-14(12)21-23(16)11-6-4-10(19)5-7-11;1-19-16(23)15-11-7-12(17)14(21-26(2,24)25)8-13(11)20-22(15)10-5-3-9(18)4-6-10/h4-9H,1-3H3,(H,20,24);3-8,21H,1-2H3,(H,19,23).
What are the key properties of 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;5-bromo-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide?
5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;5-bromo-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide has a molecular weight of 896.59 g/mol, XLogP of 5.34, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide;5-bromo-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide is sourced from PubChem (CID 161300734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).