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

C22H15ClF3N3O3S — CID 90088436

IUPAC2-chloro-N-[1-(3-methylphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
SMILESCc1cccc(S(=O)(=O)n2ncc3ccc(NC(=O)c4c(Cl)cccc4C(F)(F)F)cc32)c1
InChIInChI=1S/C22H15ClF3N3O3S/c1-13-4-2-5-16(10-13)33(31,32)29-19-11-15(9-8-14(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)
InChIKeyJWUBZEJABKDOSN-UHFFFAOYSA-N
MW493.89 g/mol
LogP5.51
Rot. Bonds4

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

2-chloro-N-[1-(3-methylphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide (PubChem CID 90088436) has the molecular formula C22H15ClF3N3O3S and a molecular weight of 493.89 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-methylphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-methylphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
PubChem CID90088436
Molecular FormulaC22H15ClF3N3O3S
Molecular Weight493.89 g/mol
Exact Mass493.05
IUPAC Name2-chloro-N-[1-(3-methylphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
SMILESCc1cccc(S(=O)(=O)n2ncc3ccc(NC(=O)c4c(Cl)cccc4C(F)(F)F)cc32)c1
InChIInChI=1S/C22H15ClF3N3O3S/c1-13-4-2-5-16(10-13)33(31,32)29-19-11-15(9-8-14(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)
InChIKeyJWUBZEJABKDOSN-UHFFFAOYSA-N
XLogP5.51
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.89
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide
CID 90088402
US20250059172, Example 23
CID 168968286
3-[1-(4-chlorophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 10368030
3-[1-(3-chlorophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 10390588
N-[[2-chloro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 44468849
3-[1-(2-chlorophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 58656527
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-methylphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[1-(3-methylphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide (CID 90088436) is 2-chloro-N-[1-(3-methylphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[1-(3-methylphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[1-(3-methylphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide is Cc1cccc(S(=O)(=O)n2ncc3ccc(NC(=O)c4c(Cl)cccc4C(F)(F)F)cc32)c1.
What is the InChIKey of 2-chloro-N-[1-(3-methylphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide?
The InChIKey is JWUBZEJABKDOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N3O3S/c1-13-4-2-5-16(10-13)33(31,32)29-19-11-15(9-8-14(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-chloro-N-[1-(3-methylphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide?
2-chloro-N-[1-(3-methylphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide has a molecular weight of 493.89 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-methylphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 90088436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).