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

C22H12F7N3O3S — CID 90088402

IUPAC2-fluoro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide
SMILESO=C(Nc1ccc2cnn(S(=O)(=O)c3cccc(C(F)(F)F)c3)c2c1)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C22H12F7N3O3S/c23-17-6-2-5-16(22(27,28)29)19(17)20(33)31-14-8-7-12-11-30-32(18(12)10-14)36(34,35)15-4-1-3-13(9-15)21(24,25)26/h1-11H,(H,31,33)
InChIKeyIOUBONWXFKVWEU-UHFFFAOYSA-N
MW531.41 g/mol
LogP5.70
Rot. Bonds4

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

2-fluoro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide (PubChem CID 90088402) has the molecular formula C22H12F7N3O3S and a molecular weight of 531.41 g/mol. Its IUPAC name is 2-fluoro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide
PubChem CID90088402
Molecular FormulaC22H12F7N3O3S
Molecular Weight531.41 g/mol
Exact Mass531.05
IUPAC Name2-fluoro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide
SMILESO=C(Nc1ccc2cnn(S(=O)(=O)c3cccc(C(F)(F)F)c3)c2c1)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C22H12F7N3O3S/c23-17-6-2-5-16(22(27,28)29)19(17)20(33)31-14-8-7-12-11-30-32(18(12)10-14)36(34,35)15-4-1-3-13(9-15)21(24,25)26/h1-11H,(H,31,33)
InChIKeyIOUBONWXFKVWEU-UHFFFAOYSA-N
XLogP5.70
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.41
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

3-amino-N-[1-(naphthalene-1-sulfonyl)-1H-indazol-6-yl]propanamide
CID 23624307
N-[1-(naphthalene-1-sulfonyl)-1H-indazol-6-yl]piperidine-4-carboxamide
CID 24771120
N-[1-(naphthalene-1-sulfonyl)-1H-indazol-6-yl]-3-(piperidin-1-yl)propanamide
CID 24771124
3-amino-N-[1-(naphthalene-1-sulfonyl)-1H-indazol-4-yl]propanamide
CID 25263297
3-(methylamino)-N-[1-(naphthalene-1-sulfonyl)-1H-indazol-6-yl]propanamide
CID 25263299
3-(dimethylamino)-N-[1-(naphthalene-1-sulfonyl)-1H-indazol-6-yl]propanamide
CID 25263300
3-(diethylamino)-N-[1-(naphthalene-1-sulfonyl)-1H-indazol-6-yl]propanamide
CID 25263301
N-[1-(naphthalene-1-sulfonyl)-1H-indazol-6-yl]piperidine-3-carboxamide
CID 25263302
N-cyclopropyl-3-[1-(4-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide
CID 10072401
1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]indazole-4-carboxamide
CID 44468708
N-[[3-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 44469942
1-(4-fluorophenyl)-N-[[4-(propan-2-ylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CID 44470083

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide?
The IUPAC name of 2-fluoro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide (CID 90088402) is 2-fluoro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide.
What is the SMILES notation for 2-fluoro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide?
The canonical SMILES for 2-fluoro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide is O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc(C(F)(F)F)c3)c2c1)c1c(F)cccc1C(F)(F)F.
What is the InChIKey of 2-fluoro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide?
The InChIKey is IOUBONWXFKVWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F7N3O3S/c23-17-6-2-5-16(22(27,28)29)19(17)20(33)31-14-8-7-12-11-30-32(18(12)10-14)36(34,35)15-4-1-3-13(9-15)21(24,25)26/h1-11H,(H,31,33).
What are the key properties of 2-fluoro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide?
2-fluoro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide has a molecular weight of 531.41 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide is sourced from PubChem (CID 90088402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).