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

C22H13ClF5N3O4S — CID 87765638

IUPAC2-chloro-N-[1-[3-(difluoromethoxy)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2cnn(S(=O)(=O)c3cccc(OC(F)F)c3)c2c1)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C22H13ClF5N3O4S/c23-17-6-2-5-16(22(26,27)28)19(17)20(32)30-13-8-7-12-11-29-31(18(12)9-13)36(33,34)15-4-1-3-14(10-15)35-21(24)25/h1-11,21H,(H,30,32)
InChIKeyVGSPOXHBJDTSBQ-UHFFFAOYSA-N
MW545.87 g/mol
LogP5.80
Rot. Bonds6

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

2-chloro-N-[1-[3-(difluoromethoxy)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide (PubChem CID 87765638) has the molecular formula C22H13ClF5N3O4S and a molecular weight of 545.87 g/mol. Its IUPAC name is 2-chloro-N-[1-[3-(difluoromethoxy)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[3-(difluoromethoxy)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
PubChem CID87765638
Molecular FormulaC22H13ClF5N3O4S
Molecular Weight545.87 g/mol
Exact Mass545.02
IUPAC Name2-chloro-N-[1-[3-(difluoromethoxy)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2cnn(S(=O)(=O)c3cccc(OC(F)F)c3)c2c1)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C22H13ClF5N3O4S/c23-17-6-2-5-16(22(26,27)28)19(17)20(32)30-13-8-7-12-11-29-31(18(12)9-13)36(33,34)15-4-1-3-14(10-15)35-21(24)25/h1-11,21H,(H,30,32)
InChIKeyVGSPOXHBJDTSBQ-UHFFFAOYSA-N
XLogP5.80
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.87
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[1-[3-(difluoromethoxy)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)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-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-fluoro-N-[1-(3-methoxyphenyl)sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide
CID 69282926
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-N-[1-[3-(difluoromethoxy)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[1-[3-(difluoromethoxy)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide (CID 87765638) is 2-chloro-N-[1-[3-(difluoromethoxy)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[1-[3-(difluoromethoxy)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[1-[3-(difluoromethoxy)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide is O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc(OC(F)F)c3)c2c1)c1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-[1-[3-(difluoromethoxy)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide?
The InChIKey is VGSPOXHBJDTSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF5N3O4S/c23-17-6-2-5-16(22(26,27)28)19(17)20(32)30-13-8-7-12-11-29-31(18(12)9-13)36(33,34)15-4-1-3-14(10-15)35-21(24)25/h1-11,21H,(H,30,32).
What are the key properties of 2-chloro-N-[1-[3-(difluoromethoxy)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide?
2-chloro-N-[1-[3-(difluoromethoxy)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide has a molecular weight of 545.87 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[3-(difluoromethoxy)phenyl]sulfonylindazol-6-yl]-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 87765638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).