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

C17H14F3N3O3S — CID 155536189

IUPAC1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide
SMILESCn1nc(-c2ccc(C(F)(F)F)cc2)c2ccc(C(=O)NS(C)(=O)=O)cc21
InChIInChI=1S/C17H14F3N3O3S/c1-23-14-9-11(16(24)22-27(2,25)26)5-8-13(14)15(21-23)10-3-6-12(7-4-10)17(18,19)20/h3-9H,1-2H3,(H,22,24)
InChIKeyADEVOKHVTSQTBX-UHFFFAOYSA-N
MW397.38 g/mol
LogP2.95
Rot. Bonds3

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

1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide (PubChem CID 155536189) has the molecular formula C17H14F3N3O3S and a molecular weight of 397.38 g/mol. Its IUPAC name is 1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide
PubChem CID155536189
Molecular FormulaC17H14F3N3O3S
Molecular Weight397.38 g/mol
Exact Mass397.07
IUPAC Name1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide
SMILESCn1nc(-c2ccc(C(F)(F)F)cc2)c2ccc(C(=O)NS(C)(=O)=O)cc21
InChIInChI=1S/C17H14F3N3O3S/c1-23-14-9-11(16(24)22-27(2,25)26)5-8-13(14)15(21-23)10-3-6-12(7-4-10)17(18,19)20/h3-9H,1-2H3,(H,22,24)
InChIKeyADEVOKHVTSQTBX-UHFFFAOYSA-N
XLogP2.95
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide?
The IUPAC name of 1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide (CID 155536189) is 1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide.
What is the SMILES notation for 1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide?
The canonical SMILES for 1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide is Cn1nc(-c2ccc(C(F)(F)F)cc2)c2ccc(C(=O)NS(C)(=O)=O)cc21.
What is the InChIKey of 1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide?
The InChIKey is ADEVOKHVTSQTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3S/c1-23-14-9-11(16(24)22-27(2,25)26)5-8-13(14)15(21-23)10-3-6-12(7-4-10)17(18,19)20/h3-9H,1-2H3,(H,22,24).
What are the key properties of 1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide?
1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide has a molecular weight of 397.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide is sourced from PubChem (CID 155536189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).