N-(4-acetylphenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide

C21H16FN3O3S — CID 164628855

IUPACN-(4-acetylphenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1
InChIInChI=1S/C21H16FN3O3S/c1-13(26)14-5-8-17(9-6-14)25-29(27,28)18-4-2-3-15(11-18)21-19-10-7-16(22)12-20(19)23-24-21/h2-12,25H,1H3,(H,23,24)
InChIKeyWQCBLPJCIOITFM-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.37
Rot. Bonds5

About N-(4-acetylphenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide

N-(4-acetylphenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide (PubChem CID 164628855) has the molecular formula C21H16FN3O3S and a molecular weight of 409.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
PubChem CID164628855
Molecular FormulaC21H16FN3O3S
Molecular Weight409.44 g/mol
Exact Mass409.09
IUPAC NameN-(4-acetylphenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1
InChIInChI=1S/C21H16FN3O3S/c1-13(26)14-5-8-17(9-6-14)25-29(27,28)18-4-2-3-15(11-18)21-19-10-7-16(22)12-20(19)23-24-21/h2-12,25H,1H3,(H,23,24)
InChIKeyWQCBLPJCIOITFM-UHFFFAOYSA-N
XLogP4.37
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide (CID 164628855) is N-(4-acetylphenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide is CC(=O)c1ccc(NS(=O)(=O)c2cccc(-c3n[nH]c4cc(F)ccc34)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide?
The InChIKey is WQCBLPJCIOITFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c1-13(26)14-5-8-17(9-6-14)25-29(27,28)18-4-2-3-15(11-18)21-19-10-7-16(22)12-20(19)23-24-21/h2-12,25H,1H3,(H,23,24).
What are the key properties of N-(4-acetylphenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide?
N-(4-acetylphenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide has a molecular weight of 409.44 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 164628855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).