2-fluoro-N-[1-(3-methoxyphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide

C22H15F4N3O4S — CID 69282926

IUPAC2-fluoro-N-[1-(3-methoxyphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
SMILESCOc1cccc(S(=O)(=O)n2ncc3ccc(NC(=O)c4c(F)cccc4C(F)(F)F)cc32)c1
InChIInChI=1S/C22H15F4N3O4S/c1-33-15-4-2-5-16(11-15)34(31,32)29-19-10-14(9-8-13(19)12-27-29)28-21(30)20-17(22(24,25)26)6-3-7-18(20)23/h2-12H,1H3,(H,28,30)
InChIKeyAVJNYIJABOKSHK-UHFFFAOYSA-N
MW493.44 g/mol
LogP4.69
Rot. Bonds5

About 2-fluoro-N-[1-(3-methoxyphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide

2-fluoro-N-[1-(3-methoxyphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide (PubChem CID 69282926) has the molecular formula C22H15F4N3O4S and a molecular weight of 493.44 g/mol. Its IUPAC name is 2-fluoro-N-[1-(3-methoxyphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(3-methoxyphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
PubChem CID69282926
Molecular FormulaC22H15F4N3O4S
Molecular Weight493.44 g/mol
Exact Mass493.07
IUPAC Name2-fluoro-N-[1-(3-methoxyphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
SMILESCOc1cccc(S(=O)(=O)n2ncc3ccc(NC(=O)c4c(F)cccc4C(F)(F)F)cc32)c1
InChIInChI=1S/C22H15F4N3O4S/c1-33-15-4-2-5-16(11-15)34(31,32)29-19-10-14(9-8-13(19)12-27-29)28-21(30)20-17(22(24,25)26)6-3-7-18(20)23/h2-12H,1H3,(H,28,30)
InChIKeyAVJNYIJABOKSHK-UHFFFAOYSA-N
XLogP4.69
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-N-[1-(3-methoxyphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(3-methoxyphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[1-(3-methoxyphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide (CID 69282926) is 2-fluoro-N-[1-(3-methoxyphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[1-(3-methoxyphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[1-(3-methoxyphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide is COc1cccc(S(=O)(=O)n2ncc3ccc(NC(=O)c4c(F)cccc4C(F)(F)F)cc32)c1.
What is the InChIKey of 2-fluoro-N-[1-(3-methoxyphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide?
The InChIKey is AVJNYIJABOKSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4N3O4S/c1-33-15-4-2-5-16(11-15)34(31,32)29-19-10-14(9-8-13(19)12-27-29)28-21(30)20-17(22(24,25)26)6-3-7-18(20)23/h2-12H,1H3,(H,28,30).
What are the key properties of 2-fluoro-N-[1-(3-methoxyphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide?
2-fluoro-N-[1-(3-methoxyphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide has a molecular weight of 493.44 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(3-methoxyphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 69282926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).