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

C23H15ClF3N3O4S — CID 69282326

IUPACN-[1-(3-acetylphenyl)sulfonylindazol-6-yl]-2-chloro-6-(trifluoromethyl)benzamide
SMILESCC(=O)c1cccc(S(=O)(=O)n2ncc3ccc(NC(=O)c4c(Cl)cccc4C(F)(F)F)cc32)c1
InChIInChI=1S/C23H15ClF3N3O4S/c1-13(31)14-4-2-5-17(10-14)35(33,34)30-20-11-16(9-8-15(20)12-28-30)29-22(32)21-18(23(25,26)27)6-3-7-19(21)24/h2-12H,1H3,(H,29,32)
InChIKeyLOPSZUDSWWWBCS-UHFFFAOYSA-N
MW521.90 g/mol
LogP5.40
Rot. Bonds5

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

N-[1-(3-acetylphenyl)sulfonylindazol-6-yl]-2-chloro-6-(trifluoromethyl)benzamide (PubChem CID 69282326) has the molecular formula C23H15ClF3N3O4S and a molecular weight of 521.90 g/mol. Its IUPAC name is N-[1-(3-acetylphenyl)sulfonylindazol-6-yl]-2-chloro-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3-acetylphenyl)sulfonylindazol-6-yl]-2-chloro-6-(trifluoromethyl)benzamide
PubChem CID69282326
Molecular FormulaC23H15ClF3N3O4S
Molecular Weight521.90 g/mol
Exact Mass521.04
IUPAC NameN-[1-(3-acetylphenyl)sulfonylindazol-6-yl]-2-chloro-6-(trifluoromethyl)benzamide
SMILESCC(=O)c1cccc(S(=O)(=O)n2ncc3ccc(NC(=O)c4c(Cl)cccc4C(F)(F)F)cc32)c1
InChIInChI=1S/C23H15ClF3N3O4S/c1-13(31)14-4-2-5-17(10-14)35(33,34)30-20-11-16(9-8-15(20)12-28-30)29-22(32)21-18(23(25,26)27)6-3-7-19(21)24/h2-12H,1H3,(H,29,32)
InChIKeyLOPSZUDSWWWBCS-UHFFFAOYSA-N
XLogP5.40
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.90
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetylphenyl)sulfonylindazol-6-yl]-2-chloro-6-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(3-acetylphenyl)sulfonylindazol-6-yl]-2-chloro-6-(trifluoromethyl)benzamide (CID 69282326) is N-[1-(3-acetylphenyl)sulfonylindazol-6-yl]-2-chloro-6-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(3-acetylphenyl)sulfonylindazol-6-yl]-2-chloro-6-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(3-acetylphenyl)sulfonylindazol-6-yl]-2-chloro-6-(trifluoromethyl)benzamide is CC(=O)c1cccc(S(=O)(=O)n2ncc3ccc(NC(=O)c4c(Cl)cccc4C(F)(F)F)cc32)c1.
What is the InChIKey of N-[1-(3-acetylphenyl)sulfonylindazol-6-yl]-2-chloro-6-(trifluoromethyl)benzamide?
The InChIKey is LOPSZUDSWWWBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N3O4S/c1-13(31)14-4-2-5-17(10-14)35(33,34)30-20-11-16(9-8-15(20)12-28-30)29-22(32)21-18(23(25,26)27)6-3-7-19(21)24/h2-12H,1H3,(H,29,32).
What are the key properties of N-[1-(3-acetylphenyl)sulfonylindazol-6-yl]-2-chloro-6-(trifluoromethyl)benzamide?
N-[1-(3-acetylphenyl)sulfonylindazol-6-yl]-2-chloro-6-(trifluoromethyl)benzamide has a molecular weight of 521.90 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetylphenyl)sulfonylindazol-6-yl]-2-chloro-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 69282326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).