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

C22H15ClF3N3O4S — CID 69282005

IUPAC2-chloro-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]sulfonylindazol-6-yl]benzamide
SMILESCc1cccc(Cl)c1C(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc(OC(F)(F)F)c3)c2c1
InChIInChI=1S/C22H15ClF3N3O4S/c1-13-4-2-7-18(23)20(13)21(30)28-15-9-8-14-12-27-29(19(14)10-15)34(31,32)17-6-3-5-16(11-17)33-22(24,25)26/h2-12H,1H3,(H,28,30)
InChIKeyCFAAYNUWHAFTMF-UHFFFAOYSA-N
MW509.89 g/mol
LogP5.39
Rot. Bonds5

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

2-chloro-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]sulfonylindazol-6-yl]benzamide (PubChem CID 69282005) has the molecular formula C22H15ClF3N3O4S and a molecular weight of 509.89 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]sulfonylindazol-6-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]sulfonylindazol-6-yl]benzamide
PubChem CID69282005
Molecular FormulaC22H15ClF3N3O4S
Molecular Weight509.89 g/mol
Exact Mass509.04
IUPAC Name2-chloro-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]sulfonylindazol-6-yl]benzamide
SMILESCc1cccc(Cl)c1C(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc(OC(F)(F)F)c3)c2c1
InChIInChI=1S/C22H15ClF3N3O4S/c1-13-4-2-7-18(23)20(13)21(30)28-15-9-8-14-12-27-29(19(14)10-15)34(31,32)17-6-3-5-16(11-17)33-22(24,25)26/h2-12H,1H3,(H,28,30)
InChIKeyCFAAYNUWHAFTMF-UHFFFAOYSA-N
XLogP5.39
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.89
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-fluoro-N-[1-(3-methoxyphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
CID 69282926
2-chloro-N-[1-[3-(difluoromethoxy)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
CID 87765638
2-chloro-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
CID 87765695
2-fluoro-N-[1-[3-(trifluoromethoxy)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
CID 87765762
2-chloro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide
CID 90088397
2-chloro-N-[1-(3-methylphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
CID 90088436
N-[1-[3-(difluoromethoxy)phenyl]sulfonylindazol-6-yl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 90088474
2-chloro-N-[1-(3-methoxyphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
CID 90088486
2-chloro-N-[1-[3-(trifluoromethoxy)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
CID 90088487
2-chloro-N-[4-methanimidoyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-6-(trifluoromethyl)benzamide
CID 144380595

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]sulfonylindazol-6-yl]benzamide?
The IUPAC name of 2-chloro-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]sulfonylindazol-6-yl]benzamide (CID 69282005) is 2-chloro-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]sulfonylindazol-6-yl]benzamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]sulfonylindazol-6-yl]benzamide?
The canonical SMILES for 2-chloro-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]sulfonylindazol-6-yl]benzamide is Cc1cccc(Cl)c1C(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc(OC(F)(F)F)c3)c2c1.
What is the InChIKey of 2-chloro-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]sulfonylindazol-6-yl]benzamide?
The InChIKey is CFAAYNUWHAFTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N3O4S/c1-13-4-2-7-18(23)20(13)21(30)28-15-9-8-14-12-27-29(19(14)10-15)34(31,32)17-6-3-5-16(11-17)33-22(24,25)26/h2-12H,1H3,(H,28,30).
What are the key properties of 2-chloro-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]sulfonylindazol-6-yl]benzamide?
2-chloro-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]sulfonylindazol-6-yl]benzamide has a molecular weight of 509.89 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]sulfonylindazol-6-yl]benzamide is sourced from PubChem (CID 69282005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).