N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide

C₁₆H₁₆FN₃O₃S — CID 155549690

About N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide

N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide (PubChem CID 155549690) has the molecular formula C₁₆H₁₆FN₃O₃S and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide
• PubChem CID: 155549690
• Molecular Formula: C₁₆H₁₆FN₃O₃S
• Molecular Weight: 349.39 g/mol
• Exact Mass: 349.09
• IUPAC Name: N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide
• SMILES: CCc1cc(O)c(F)cc1-c1cc(NS(C)(=O)=O)c2cn[nH]c2c1
• InChI: InChI=1S/C16H16FN3O3S/c1-3-9-6-16(21)13(17)7-11(9)10-4-14-12(8-18-19-14)15(5-10)20-24(2,22)23/h4-8,20-21H,3H2,1-2H3,(H,18,19)
• InChIKey: ITJPSWLLFAUHHO-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 95.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.39
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide?

The IUPAC name of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide (CID 155549690) is N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide.

What is the SMILES notation for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide?

The canonical SMILES for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide is CCc1cc(O)c(F)cc1-c1cc(NS(C)(=O)=O)c2cn[nH]c2c1.

What is the InChIKey of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide?

The InChIKey is ITJPSWLLFAUHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-3-9-6-16(21)13(17)7-11(9)10-4-14-12(8-18-19-14)15(5-10)20-24(2,22)23/h4-8,20-21H,3H2,1-2H3,(H,18,19).

What are the key properties of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide?

N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide has a molecular weight of 349.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 155549690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155549690 — identifiers, structure, computed properties (public domain)

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