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

C17H18FN3O3S — CID 155540484

IUPACN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
SMILESCCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CC)c2cn[nH]c2c1
InChIInChI=1S/C17H18FN3O3S/c1-3-10-7-17(22)14(18)8-12(10)11-5-15-13(9-19-20-15)16(6-11)21-25(23,24)4-2/h5-9,21-22H,3-4H2,1-2H3,(H,19,20)
InChIKeyJCTMSESLEAUMIV-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.40
Rot. Bonds5

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

N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide (PubChem CID 155540484) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
PubChem CID155540484
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC NameN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
SMILESCCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CC)c2cn[nH]c2c1
InChIInChI=1S/C17H18FN3O3S/c1-3-10-7-17(22)14(18)8-12(10)11-5-15-13(9-19-20-15)16(6-11)21-25(23,24)4-2/h5-9,21-22H,3-4H2,1-2H3,(H,19,20)
InChIKeyJCTMSESLEAUMIV-UHFFFAOYSA-N
XLogP3.40
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.40
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]ethanesulfonamide?
The IUPAC name of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide (CID 155540484) is N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide is CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CC)c2cn[nH]c2c1.
What is the InChIKey of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide?
The InChIKey is JCTMSESLEAUMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-3-10-7-17(22)14(18)8-12(10)11-5-15-13(9-19-20-15)16(6-11)21-25(23,24)4-2/h5-9,21-22H,3-4H2,1-2H3,(H,19,20).
What are the key properties of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide?
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide has a molecular weight of 363.41 g/mol, XLogP of 3.40, 5 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]ethanesulfonamide is sourced from PubChem (CID 155540484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).