5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide

C16H14BrFN4O3S — CID 56963167

IUPAC5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide
SMILESCNC(=O)c1c2cc(Br)c(NS(C)(=O)=O)cc2nn1-c1ccc(F)cc1
InChIInChI=1S/C16H14BrFN4O3S/c1-19-16(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/h3-8,21H,1-2H3,(H,19,23)
InChIKeyNJNCXGASACTHBT-UHFFFAOYSA-N
MW441.28 g/mol
LogP2.66
Rot. Bonds4

About 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide

5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide (PubChem CID 56963167) has the molecular formula C16H14BrFN4O3S and a molecular weight of 441.28 g/mol. Its IUPAC name is 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide
PubChem CID56963167
Molecular FormulaC16H14BrFN4O3S
Molecular Weight441.28 g/mol
Exact Mass440.00
IUPAC Name5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide
SMILESCNC(=O)c1c2cc(Br)c(NS(C)(=O)=O)cc2nn1-c1ccc(F)cc1
InChIInChI=1S/C16H14BrFN4O3S/c1-19-16(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/h3-8,21H,1-2H3,(H,19,23)
InChIKeyNJNCXGASACTHBT-UHFFFAOYSA-N
XLogP2.66
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.28
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide?
The IUPAC name of 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide (CID 56963167) is 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide?
The canonical SMILES for 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide is 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?
The InChIKey is NJNCXGASACTHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN4O3S/c1-19-16(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/h3-8,21H,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)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide has a molecular weight of 441.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methylindazole-3-carboxamide is sourced from PubChem (CID 56963167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).