2-chloro-6-fluoro-N-[1-(4-fluorophenyl)sulfonylindazol-6-yl]benzamide

C20H12ClF2N3O3S — CID 69093148

IUPAC2-chloro-6-fluoro-N-[1-(4-fluorophenyl)sulfonylindazol-6-yl]benzamide
SMILESO=C(Nc1ccc2cnn(S(=O)(=O)c3ccc(F)cc3)c2c1)c1c(F)cccc1Cl
InChIInChI=1S/C20H12ClF2N3O3S/c21-16-2-1-3-17(23)19(16)20(27)25-14-7-4-12-11-24-26(18(12)10-14)30(28,29)15-8-5-13(22)6-9-15/h1-11H,(H,25,27)
InChIKeyAZAIBWZLAIIVFW-UHFFFAOYSA-N
MW447.85 g/mol
LogP4.46
Rot. Bonds4

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

2-chloro-6-fluoro-N-[1-(4-fluorophenyl)sulfonylindazol-6-yl]benzamide (PubChem CID 69093148) has the molecular formula C20H12ClF2N3O3S and a molecular weight of 447.85 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[1-(4-fluorophenyl)sulfonylindazol-6-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[1-(4-fluorophenyl)sulfonylindazol-6-yl]benzamide
PubChem CID69093148
Molecular FormulaC20H12ClF2N3O3S
Molecular Weight447.85 g/mol
Exact Mass447.03
IUPAC Name2-chloro-6-fluoro-N-[1-(4-fluorophenyl)sulfonylindazol-6-yl]benzamide
SMILESO=C(Nc1ccc2cnn(S(=O)(=O)c3ccc(F)cc3)c2c1)c1c(F)cccc1Cl
InChIInChI=1S/C20H12ClF2N3O3S/c21-16-2-1-3-17(23)19(16)20(27)25-14-7-4-12-11-24-26(18(12)10-14)30(28,29)15-8-5-13(22)6-9-15/h1-11H,(H,25,27)
InChIKeyAZAIBWZLAIIVFW-UHFFFAOYSA-N
XLogP4.46
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.85
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-fluoro-N-[1-(3-trifluoromethylbenzenesulfonyl)-1H-pyrazolo[4,3-b]pyridin-6-yl]benzamide
CID 72203576
2-fluoro-6-(trifluoromethyl)-N-[1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide
CID 90088402
1-(4-chlorophenyl)sulfonyl-N-phenylindazole-3-carboxamide
CID 56666608
2,4-difluoro-N-(1H-indazol-6-yl)-5-[2-(4-sulfamoylphenyl)ethylamino]benzamide
CID 501343
2-chloro-6-fluoro-N-(1H-indazol-6-yl)benzamide
CID 5146616
US20250059172, Example 23
CID 168968286
N-(3-chloro-4-fluoro-phenyl)-5-fluoro-2-methyl-6-[(1-methylpyrazol-4-yl)sulfonylamino]indazole-3-carboxamide
CID 172053939
N-(3-chloro-4-fluoro-phenyl)-4-fluoro-2-methyl-6-[(1-methylpyrazol-4-yl)sulfonylamino]indazole-3-carboxamide
CID 172053940
N-(3-chloro-4-fluoro-phenyl)-6-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]sulfonylamino]-4-fluoro-2-methyl-indazole-3-carboxamide
CID 172053970
N-(3-chloro-4-fluoro-phenyl)-2-methyl-6-[[1-(2-phenylethyl)pyrazol-4-yl]sulfonylamino]indazole-3-carboxamide
CID 172053991
N-(3-chloro-4-fluoro-phenyl)-6-[(1,5-dimethylpyrazol-4-yl)sulfonylamino]-2-methyl-indazole-3-carboxamide
CID 172054023
N-(3-chloro-4-fluoro-phenyl)-6-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]-2-methyl-indazole-3-carboxamide
CID 172054024

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[1-(4-fluorophenyl)sulfonylindazol-6-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[1-(4-fluorophenyl)sulfonylindazol-6-yl]benzamide (CID 69093148) is 2-chloro-6-fluoro-N-[1-(4-fluorophenyl)sulfonylindazol-6-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[1-(4-fluorophenyl)sulfonylindazol-6-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[1-(4-fluorophenyl)sulfonylindazol-6-yl]benzamide is O=C(Nc1ccc2cnn(S(=O)(=O)c3ccc(F)cc3)c2c1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[1-(4-fluorophenyl)sulfonylindazol-6-yl]benzamide?
The InChIKey is AZAIBWZLAIIVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF2N3O3S/c21-16-2-1-3-17(23)19(16)20(27)25-14-7-4-12-11-24-26(18(12)10-14)30(28,29)15-8-5-13(22)6-9-15/h1-11H,(H,25,27).
What are the key properties of 2-chloro-6-fluoro-N-[1-(4-fluorophenyl)sulfonylindazol-6-yl]benzamide?
2-chloro-6-fluoro-N-[1-(4-fluorophenyl)sulfonylindazol-6-yl]benzamide has a molecular weight of 447.85 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[1-(4-fluorophenyl)sulfonylindazol-6-yl]benzamide is sourced from PubChem (CID 69093148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).