6-[2,6-difluoro-3-(oxan-4-ylsulfonylamino)phenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide

C20H19F3N4O4S — CID 155193737

IUPAC6-[2,6-difluoro-3-(oxan-4-ylsulfonylamino)phenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide
SMILESCNC(=O)c1[nH]nc2c(F)c(-c3c(F)ccc(NS(=O)(=O)C4CCOCC4)c3F)ccc12
InChIInChI=1S/C20H19F3N4O4S/c1-24-20(28)19-12-3-2-11(16(22)18(12)25-26-19)15-13(21)4-5-14(17(15)23)27-32(29,30)10-6-8-31-9-7-10/h2-5,10,27H,6-9H2,1H3,(H,24,28)(H,25,26)
InChIKeyIYMLTBNSDVGRKY-UHFFFAOYSA-N
MW468.46 g/mol
LogP2.93
Rot. Bonds5

About 6-[2,6-difluoro-3-(oxan-4-ylsulfonylamino)phenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide

6-[2,6-difluoro-3-(oxan-4-ylsulfonylamino)phenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide (PubChem CID 155193737) has the molecular formula C20H19F3N4O4S and a molecular weight of 468.46 g/mol. Its IUPAC name is 6-[2,6-difluoro-3-(oxan-4-ylsulfonylamino)phenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[2,6-difluoro-3-(oxan-4-ylsulfonylamino)phenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide
PubChem CID155193737
Molecular FormulaC20H19F3N4O4S
Molecular Weight468.46 g/mol
Exact Mass468.11
IUPAC Name6-[2,6-difluoro-3-(oxan-4-ylsulfonylamino)phenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide
SMILESCNC(=O)c1[nH]nc2c(F)c(-c3c(F)ccc(NS(=O)(=O)C4CCOCC4)c3F)ccc12
InChIInChI=1S/C20H19F3N4O4S/c1-24-20(28)19-12-3-2-11(16(22)18(12)25-26-19)15-13(21)4-5-14(17(15)23)27-32(29,30)10-6-8-31-9-7-10/h2-5,10,27H,6-9H2,1H3,(H,24,28)(H,25,26)
InChIKeyIYMLTBNSDVGRKY-UHFFFAOYSA-N
XLogP2.93
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.46
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-3-(oxan-4-ylsulfonylamino)phenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide?
The IUPAC name of 6-[2,6-difluoro-3-(oxan-4-ylsulfonylamino)phenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide (CID 155193737) is 6-[2,6-difluoro-3-(oxan-4-ylsulfonylamino)phenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide.
What is the SMILES notation for 6-[2,6-difluoro-3-(oxan-4-ylsulfonylamino)phenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide?
The canonical SMILES for 6-[2,6-difluoro-3-(oxan-4-ylsulfonylamino)phenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide is CNC(=O)c1[nH]nc2c(F)c(-c3c(F)ccc(NS(=O)(=O)C4CCOCC4)c3F)ccc12.
What is the InChIKey of 6-[2,6-difluoro-3-(oxan-4-ylsulfonylamino)phenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide?
The InChIKey is IYMLTBNSDVGRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O4S/c1-24-20(28)19-12-3-2-11(16(22)18(12)25-26-19)15-13(21)4-5-14(17(15)23)27-32(29,30)10-6-8-31-9-7-10/h2-5,10,27H,6-9H2,1H3,(H,24,28)(H,25,26).
What are the key properties of 6-[2,6-difluoro-3-(oxan-4-ylsulfonylamino)phenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide?
6-[2,6-difluoro-3-(oxan-4-ylsulfonylamino)phenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide has a molecular weight of 468.46 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-difluoro-3-(oxan-4-ylsulfonylamino)phenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide is sourced from PubChem (CID 155193737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).