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

C18H20FN3O4S — CID 155550308

IUPACN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-methoxyethanesulfonamide
SMILESCCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CCOC)c2cn[nH]c2c1
InChIInChI=1S/C18H20FN3O4S/c1-3-11-8-18(23)15(19)9-13(11)12-6-16-14(10-20-21-16)17(7-12)22-27(24,25)5-4-26-2/h6-10,22-23H,3-5H2,1-2H3,(H,20,21)
InChIKeyVDXJXBMLJAUGIA-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.03
Rot. Bonds7

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

N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-methoxyethanesulfonamide (PubChem CID 155550308) has the molecular formula C18H20FN3O4S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-methoxyethanesulfonamide
PubChem CID155550308
Molecular FormulaC18H20FN3O4S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC NameN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-methoxyethanesulfonamide
SMILESCCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CCOC)c2cn[nH]c2c1
InChIInChI=1S/C18H20FN3O4S/c1-3-11-8-18(23)15(19)9-13(11)12-6-16-14(10-20-21-16)17(7-12)22-27(24,25)5-4-26-2/h6-10,22-23H,3-5H2,1-2H3,(H,20,21)
InChIKeyVDXJXBMLJAUGIA-UHFFFAOYSA-N
XLogP3.03
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.03
H-Bond Donors ≤ 53
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-methoxyethanesulfonamide?
The IUPAC name of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-methoxyethanesulfonamide (CID 155550308) is N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-methoxyethanesulfonamide is CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)CCOC)c2cn[nH]c2c1.
What is the InChIKey of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-methoxyethanesulfonamide?
The InChIKey is VDXJXBMLJAUGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4S/c1-3-11-8-18(23)15(19)9-13(11)12-6-16-14(10-20-21-16)17(7-12)22-27(24,25)5-4-26-2/h6-10,22-23H,3-5H2,1-2H3,(H,20,21).
What are the key properties of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-methoxyethanesulfonamide?
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-methoxyethanesulfonamide has a molecular weight of 393.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 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-methoxyethanesulfonamide is sourced from PubChem (CID 155550308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).