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

C22H12ClF6N3O3S — CID 90088397

IUPAC2-chloro-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(Cl)cccc1C(F)(F)F
InChIInChI=1S/C22H12ClF6N3O3S/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)
InChIKeyZMBHNUNSTCSGLO-UHFFFAOYSA-N
MW547.86 g/mol
LogP6.22
Rot. Bonds4

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

2-chloro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide (PubChem CID 90088397) has the molecular formula C22H12ClF6N3O3S and a molecular weight of 547.86 g/mol. Its IUPAC name is 2-chloro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide
PubChem CID90088397
Molecular FormulaC22H12ClF6N3O3S
Molecular Weight547.86 g/mol
Exact Mass547.02
IUPAC Name2-chloro-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(Cl)cccc1C(F)(F)F
InChIInChI=1S/C22H12ClF6N3O3S/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)
InChIKeyZMBHNUNSTCSGLO-UHFFFAOYSA-N
XLogP6.22
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.86
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-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

2-fluoro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide
CID 90088402
US20250059172, Example 23
CID 168968286
N-[1-(3-acetylphenyl)sulfonylindazol-6-yl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 68090538
N-[1-(3-tert-butylphenyl)sulfonylindazol-6-yl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 68090540
2-chloro-6-fluoro-N-[1-(4-fluorobenzenesulfonyl)-1H-indazol-6-yl]benzamide
CID 69093148
2-chloro-6-fluoro-N-[1-(3-trifluoromethylbenzenesulfonyl)-3-vinyl-1H-indazol-6-yl]benzamide
CID 69093369
2-chloro-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]sulfonylindazol-6-yl]benzamide
CID 69282005
2-chloro-N-[1-(3-chlorophenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
CID 69282264
N-[1-(3-acetylphenyl)sulfonylindazol-6-yl]-2-chloro-6-(trifluoromethyl)benzamide
CID 69282326
2-chloro-N-(1H-indazol-6-yl)-6-(trifluoromethyl)benzamide
CID 69282363
2-chloro-6-fluoro-N-[3-formyl-1-(3-trifluoromethylbenzenesulfonyl)-1H-indazol-6-yl]benzamide
CID 86713535
N-[1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonylindazol-6-yl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 87765562

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide?
The IUPAC name of 2-chloro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide (CID 90088397) is 2-chloro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide.
What is the SMILES notation for 2-chloro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide?
The canonical SMILES for 2-chloro-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(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-chloro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide?
The InChIKey is ZMBHNUNSTCSGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12ClF6N3O3S/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-chloro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide?
2-chloro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide has a molecular weight of 547.86 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide is sourced from PubChem (CID 90088397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).