N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]pyridine-3-sulfonamide

C20H17FN4O3S — CID 155559343

IUPACN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]pyridine-3-sulfonamide
SMILESCCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)c2cccnc2)c2cn[nH]c2c1
InChIInChI=1S/C20H17FN4O3S/c1-2-12-8-20(26)17(21)9-15(12)13-6-18-16(11-23-24-18)19(7-13)25-29(27,28)14-4-3-5-22-10-14/h3-11,25-26H,2H2,1H3,(H,23,24)
InChIKeyOFYNYVHMYAQAHK-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.83
Rot. Bonds5

About N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]pyridine-3-sulfonamide

N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]pyridine-3-sulfonamide (PubChem CID 155559343) has the molecular formula C20H17FN4O3S and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]pyridine-3-sulfonamide
PubChem CID155559343
Molecular FormulaC20H17FN4O3S
Molecular Weight412.45 g/mol
Exact Mass412.10
IUPAC NameN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]pyridine-3-sulfonamide
SMILESCCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)c2cccnc2)c2cn[nH]c2c1
InChIInChI=1S/C20H17FN4O3S/c1-2-12-8-20(26)17(21)9-15(12)13-6-18-16(11-23-24-18)19(7-13)25-29(27,28)14-4-3-5-22-10-14/h3-11,25-26H,2H2,1H3,(H,23,24)
InChIKeyOFYNYVHMYAQAHK-UHFFFAOYSA-N
XLogP3.83
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.83
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]pyridine-3-sulfonamide?
The IUPAC name of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]pyridine-3-sulfonamide (CID 155559343) is N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]pyridine-3-sulfonamide is CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)c2cccnc2)c2cn[nH]c2c1.
What is the InChIKey of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]pyridine-3-sulfonamide?
The InChIKey is OFYNYVHMYAQAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3S/c1-2-12-8-20(26)17(21)9-15(12)13-6-18-16(11-23-24-18)19(7-13)25-29(27,28)14-4-3-5-22-10-14/h3-11,25-26H,2H2,1H3,(H,23,24).
What are the key properties of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]pyridine-3-sulfonamide?
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]pyridine-3-sulfonamide has a molecular weight of 412.45 g/mol, XLogP of 3.83, 5 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]pyridine-3-sulfonamide is sourced from PubChem (CID 155559343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).