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

C17H18FN3O4S — CID 155552333

IUPACN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-hydroxyethanesulfonamide
SMILESCCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CCO)c2cn[nH]c2c1
InChIInChI=1S/C17H18FN3O4S/c1-2-10-7-17(23)14(18)8-12(10)11-5-15-13(9-19-20-15)16(6-11)21-26(24,25)4-3-22/h5-9,21-23H,2-4H2,1H3,(H,19,20)
InChIKeyXARCKHCGAXMSRJ-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.37
Rot. Bonds6

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

N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-hydroxyethanesulfonamide (PubChem CID 155552333) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-hydroxyethanesulfonamide.

Molecular Properties

Compound NameN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-hydroxyethanesulfonamide
PubChem CID155552333
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC NameN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-hydroxyethanesulfonamide
SMILESCCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CCO)c2cn[nH]c2c1
InChIInChI=1S/C17H18FN3O4S/c1-2-10-7-17(23)14(18)8-12(10)11-5-15-13(9-19-20-15)16(6-11)21-26(24,25)4-3-22/h5-9,21-23H,2-4H2,1H3,(H,19,20)
InChIKeyXARCKHCGAXMSRJ-UHFFFAOYSA-N
XLogP2.37
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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]-2-hydroxyethanesulfonamide?
The IUPAC name of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-hydroxyethanesulfonamide (CID 155552333) is N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-hydroxyethanesulfonamide.
What is the SMILES notation for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-hydroxyethanesulfonamide?
The canonical SMILES for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-hydroxyethanesulfonamide is CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CCO)c2cn[nH]c2c1.
What is the InChIKey of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-hydroxyethanesulfonamide?
The InChIKey is XARCKHCGAXMSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c1-2-10-7-17(23)14(18)8-12(10)11-5-15-13(9-19-20-15)16(6-11)21-26(24,25)4-3-22/h5-9,21-23H,2-4H2,1H3,(H,19,20).
What are the key properties of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-hydroxyethanesulfonamide?
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-hydroxyethanesulfonamide has a molecular weight of 379.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-hydroxyethanesulfonamide is sourced from PubChem (CID 155552333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).