2-chloro-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide

C22H11ClF7N3O3S — CID 87765695

IUPAC2-chloro-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2cnn(S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)c2c1)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C22H11ClF7N3O3S/c23-16-3-1-2-14(21(25,26)27)19(16)20(34)32-12-5-4-11-10-31-33(18(11)8-12)37(35,36)13-6-7-17(24)15(9-13)22(28,29)30/h1-10H,(H,32,34)
InChIKeySGHOVPNHOYVAQB-UHFFFAOYSA-N
MW565.85 g/mol
LogP6.36
Rot. Bonds4

About 2-chloro-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide

2-chloro-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide (PubChem CID 87765695) has the molecular formula C22H11ClF7N3O3S and a molecular weight of 565.85 g/mol. Its IUPAC name is 2-chloro-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
PubChem CID87765695
Molecular FormulaC22H11ClF7N3O3S
Molecular Weight565.85 g/mol
Exact Mass565.01
IUPAC Name2-chloro-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2cnn(S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)c2c1)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C22H11ClF7N3O3S/c23-16-3-1-2-14(21(25,26)27)19(16)20(34)32-12-5-4-11-10-31-33(18(11)8-12)37(35,36)13-6-7-17(24)15(9-13)22(28,29)30/h1-10H,(H,32,34)
InChIKeySGHOVPNHOYVAQB-UHFFFAOYSA-N
XLogP6.36
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.85
LogP ≤ 56.36
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
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
N-[1-(3-acetylphenyl)sulfonylindazol-6-yl]-2-chloro-6-(trifluoromethyl)benzamide
CID 69282326

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide (CID 87765695) is 2-chloro-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide is O=C(Nc1ccc2cnn(S(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)c2c1)c1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide?
The InChIKey is SGHOVPNHOYVAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11ClF7N3O3S/c23-16-3-1-2-14(21(25,26)27)19(16)20(34)32-12-5-4-11-10-31-33(18(11)8-12)37(35,36)13-6-7-17(24)15(9-13)22(28,29)30/h1-10H,(H,32,34).
What are the key properties of 2-chloro-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide?
2-chloro-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide has a molecular weight of 565.85 g/mol, XLogP of 6.36, 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-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 87765695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).