N-[1-(3-acetylphenyl)sulfonyl-2,3-dihydroindazol-6-yl]-2-(4-fluorophenyl)acetamide

C23H20FN3O4S — CID 123619622

IUPACN-[1-(3-acetylphenyl)sulfonyl-2,3-dihydroindazol-6-yl]-2-(4-fluorophenyl)acetamide
SMILESCC(=O)c1cccc(S(=O)(=O)N2NCc3ccc(NC(=O)Cc4ccc(F)cc4)cc32)c1
InChIInChI=1S/C23H20FN3O4S/c1-15(28)17-3-2-4-21(12-17)32(30,31)27-22-13-20(10-7-18(22)14-25-27)26-23(29)11-16-5-8-19(24)9-6-16/h2-10,12-13,25H,11,14H2,1H3,(H,26,29)
InChIKeyLQFNGYZQMGMMTH-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.42
Rot. Bonds6

About N-[1-(3-acetylphenyl)sulfonyl-2,3-dihydroindazol-6-yl]-2-(4-fluorophenyl)acetamide

N-[1-(3-acetylphenyl)sulfonyl-2,3-dihydroindazol-6-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 123619622) has the molecular formula C23H20FN3O4S and a molecular weight of 453.50 g/mol. Its IUPAC name is N-[1-(3-acetylphenyl)sulfonyl-2,3-dihydroindazol-6-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-acetylphenyl)sulfonyl-2,3-dihydroindazol-6-yl]-2-(4-fluorophenyl)acetamide
PubChem CID123619622
Molecular FormulaC23H20FN3O4S
Molecular Weight453.50 g/mol
Exact Mass453.12
IUPAC NameN-[1-(3-acetylphenyl)sulfonyl-2,3-dihydroindazol-6-yl]-2-(4-fluorophenyl)acetamide
SMILESCC(=O)c1cccc(S(=O)(=O)N2NCc3ccc(NC(=O)Cc4ccc(F)cc4)cc32)c1
InChIInChI=1S/C23H20FN3O4S/c1-15(28)17-3-2-4-21(12-17)32(30,31)27-22-13-20(10-7-18(22)14-25-27)26-23(29)11-16-5-8-19(24)9-6-16/h2-10,12-13,25H,11,14H2,1H3,(H,26,29)
InChIKeyLQFNGYZQMGMMTH-UHFFFAOYSA-N
XLogP3.42
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetylphenyl)sulfonyl-2,3-dihydroindazol-6-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[1-(3-acetylphenyl)sulfonyl-2,3-dihydroindazol-6-yl]-2-(4-fluorophenyl)acetamide (CID 123619622) is N-[1-(3-acetylphenyl)sulfonyl-2,3-dihydroindazol-6-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-(3-acetylphenyl)sulfonyl-2,3-dihydroindazol-6-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[1-(3-acetylphenyl)sulfonyl-2,3-dihydroindazol-6-yl]-2-(4-fluorophenyl)acetamide is CC(=O)c1cccc(S(=O)(=O)N2NCc3ccc(NC(=O)Cc4ccc(F)cc4)cc32)c1.
What is the InChIKey of N-[1-(3-acetylphenyl)sulfonyl-2,3-dihydroindazol-6-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is LQFNGYZQMGMMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4S/c1-15(28)17-3-2-4-21(12-17)32(30,31)27-22-13-20(10-7-18(22)14-25-27)26-23(29)11-16-5-8-19(24)9-6-16/h2-10,12-13,25H,11,14H2,1H3,(H,26,29).
What are the key properties of N-[1-(3-acetylphenyl)sulfonyl-2,3-dihydroindazol-6-yl]-2-(4-fluorophenyl)acetamide?
N-[1-(3-acetylphenyl)sulfonyl-2,3-dihydroindazol-6-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 453.50 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetylphenyl)sulfonyl-2,3-dihydroindazol-6-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 123619622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).