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

C16H13F4N3O3S — CID 155542961

IUPACN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-1,1,1-trifluoromethanesulfonamide
SMILESCCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)C(F)(F)F)c2cn[nH]c2c1
InChIInChI=1S/C16H13F4N3O3S/c1-2-8-5-15(24)12(17)6-10(8)9-3-13-11(7-21-22-13)14(4-9)23-27(25,26)16(18,19)20/h3-7,23-24H,2H2,1H3,(H,21,22)
InChIKeyONGWIICYVJHKJL-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.90
Rot. Bonds4

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

N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 155542961) has the molecular formula C16H13F4N3O3S and a molecular weight of 403.36 g/mol. Its IUPAC name is N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-1,1,1-trifluoromethanesulfonamide
PubChem CID155542961
Molecular FormulaC16H13F4N3O3S
Molecular Weight403.36 g/mol
Exact Mass403.06
IUPAC NameN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-1,1,1-trifluoromethanesulfonamide
SMILESCCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)C(F)(F)F)c2cn[nH]c2c1
InChIInChI=1S/C16H13F4N3O3S/c1-2-8-5-15(24)12(17)6-10(8)9-3-13-11(7-21-22-13)14(4-9)23-27(25,26)16(18,19)20/h3-7,23-24H,2H2,1H3,(H,21,22)
InChIKeyONGWIICYVJHKJL-UHFFFAOYSA-N
XLogP3.90
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-1,1,1-trifluoromethanesulfonamide (CID 155542961) is N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-1,1,1-trifluoromethanesulfonamide is CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)C(F)(F)F)c2cn[nH]c2c1.
What is the InChIKey of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is ONGWIICYVJHKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N3O3S/c1-2-8-5-15(24)12(17)6-10(8)9-3-13-11(7-21-22-13)14(4-9)23-27(25,26)16(18,19)20/h3-7,23-24H,2H2,1H3,(H,21,22).
What are the key properties of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-1,1,1-trifluoromethanesulfonamide?
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 403.36 g/mol, XLogP of 3.90, 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]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 155542961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).