5-fluoro-1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide

C17H13F4N3O3S — CID 155522007

IUPAC5-fluoro-1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide
SMILESCn1nc(-c2ccc(C(F)(F)F)cc2)c2cc(F)c(C(=O)NS(C)(=O)=O)cc21
InChIInChI=1S/C17H13F4N3O3S/c1-24-14-8-11(16(25)23-28(2,26)27)13(18)7-12(14)15(22-24)9-3-5-10(6-4-9)17(19,20)21/h3-8H,1-2H3,(H,23,25)
InChIKeyOBZZQHAJJICIHN-UHFFFAOYSA-N
MW415.37 g/mol
LogP3.09
Rot. Bonds3

About 5-fluoro-1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide

5-fluoro-1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide (PubChem CID 155522007) has the molecular formula C17H13F4N3O3S and a molecular weight of 415.37 g/mol. Its IUPAC name is 5-fluoro-1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide
PubChem CID155522007
Molecular FormulaC17H13F4N3O3S
Molecular Weight415.37 g/mol
Exact Mass415.06
IUPAC Name5-fluoro-1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide
SMILESCn1nc(-c2ccc(C(F)(F)F)cc2)c2cc(F)c(C(=O)NS(C)(=O)=O)cc21
InChIInChI=1S/C17H13F4N3O3S/c1-24-14-8-11(16(25)23-28(2,26)27)13(18)7-12(14)15(22-24)9-3-5-10(6-4-9)17(19,20)21/h3-8H,1-2H3,(H,23,25)
InChIKeyOBZZQHAJJICIHN-UHFFFAOYSA-N
XLogP3.09
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide?
The IUPAC name of 5-fluoro-1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide (CID 155522007) is 5-fluoro-1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide.
What is the SMILES notation for 5-fluoro-1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide?
The canonical SMILES for 5-fluoro-1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide is Cn1nc(-c2ccc(C(F)(F)F)cc2)c2cc(F)c(C(=O)NS(C)(=O)=O)cc21.
What is the InChIKey of 5-fluoro-1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide?
The InChIKey is OBZZQHAJJICIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3O3S/c1-24-14-8-11(16(25)23-28(2,26)27)13(18)7-12(14)15(22-24)9-3-5-10(6-4-9)17(19,20)21/h3-8H,1-2H3,(H,23,25).
What are the key properties of 5-fluoro-1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide?
5-fluoro-1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide has a molecular weight of 415.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide is sourced from PubChem (CID 155522007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).