2-chloro-N-[3-ethenyl-1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-fluorobenzamide

C23H14ClF4N3O3S — CID 69093369

IUPAC2-chloro-N-[3-ethenyl-1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-fluorobenzamide
SMILESC=Cc1nn(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)c3c(F)cccc3Cl)ccc12
InChIInChI=1S/C23H14ClF4N3O3S/c1-2-19-16-10-9-14(29-22(32)21-17(24)7-4-8-18(21)25)12-20(16)31(30-19)35(33,34)15-6-3-5-13(11-15)23(26,27)28/h2-12H,1H2,(H,29,32)
InChIKeyXAHNZOXCWHSJTJ-UHFFFAOYSA-N
MW523.90 g/mol
LogP5.98
Rot. Bonds5

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

2-chloro-N-[3-ethenyl-1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-fluorobenzamide (PubChem CID 69093369) has the molecular formula C23H14ClF4N3O3S and a molecular weight of 523.90 g/mol. Its IUPAC name is 2-chloro-N-[3-ethenyl-1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-ethenyl-1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-fluorobenzamide
PubChem CID69093369
Molecular FormulaC23H14ClF4N3O3S
Molecular Weight523.90 g/mol
Exact Mass523.04
IUPAC Name2-chloro-N-[3-ethenyl-1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-fluorobenzamide
SMILESC=Cc1nn(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)c3c(F)cccc3Cl)ccc12
InChIInChI=1S/C23H14ClF4N3O3S/c1-2-19-16-10-9-14(29-22(32)21-17(24)7-4-8-18(21)25)12-20(16)31(30-19)35(33,34)15-6-3-5-13(11-15)23(26,27)28/h2-12H,1H2,(H,29,32)
InChIKeyXAHNZOXCWHSJTJ-UHFFFAOYSA-N
XLogP5.98
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.90
LogP ≤ 55.98
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
1-(4-chlorophenyl)sulfonyl-N-phenylindazole-3-carboxamide
CID 56666608
6-(benzenesulfonamido)-N-(3-chloro-4-fluoro-phenyl)-2-methyl-indazole-3-carboxamide
CID 172054264
4-(3-Chloro-indazole-1-sulfonyl)-N-(4-fluoro-benzyl)-benzamide
CID 58975152
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-(3-vinyl-1H-indazol-6-yl)benzamide
CID 69093376
2-chloro-6-fluoro-N-[3-(hydroxymethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]benzamide
CID 69093665
2-chloro-N-[3-(1,2-dihydroxyethyl)-1-(3-trifluoromethylbenzenesulfonyl)-1H-indazol-6-yl]-6-fluorobenzamide
CID 69093786
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-[3-ethenyl-1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[3-ethenyl-1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-fluorobenzamide (CID 69093369) is 2-chloro-N-[3-ethenyl-1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[3-ethenyl-1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[3-ethenyl-1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-fluorobenzamide is C=Cc1nn(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(NC(=O)c3c(F)cccc3Cl)ccc12.
What is the InChIKey of 2-chloro-N-[3-ethenyl-1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-fluorobenzamide?
The InChIKey is XAHNZOXCWHSJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF4N3O3S/c1-2-19-16-10-9-14(29-22(32)21-17(24)7-4-8-18(21)25)12-20(16)31(30-19)35(33,34)15-6-3-5-13(11-15)23(26,27)28/h2-12H,1H2,(H,29,32).
What are the key properties of 2-chloro-N-[3-ethenyl-1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-fluorobenzamide?
2-chloro-N-[3-ethenyl-1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-fluorobenzamide has a molecular weight of 523.90 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-ethenyl-1-[3-(trifluoromethyl)phenyl]sulfonylindazol-6-yl]-6-fluorobenzamide is sourced from PubChem (CID 69093369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).