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

C16H16FN3O3S — CID 155549690

IUPACN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide
SMILESCCc1cc(O)c(F)cc1-c1cc(NS(C)(=O)=O)c2cn[nH]c2c1
InChIInChI=1S/C16H16FN3O3S/c1-3-9-6-16(21)13(17)7-11(9)10-4-14-12(8-18-19-14)15(5-10)20-24(2,22)23/h4-8,20-21H,3H2,1-2H3,(H,18,19)
InChIKeyITJPSWLLFAUHHO-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.01
Rot. Bonds4

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

N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide (PubChem CID 155549690) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide
PubChem CID155549690
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC NameN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide
SMILESCCc1cc(O)c(F)cc1-c1cc(NS(C)(=O)=O)c2cn[nH]c2c1
InChIInChI=1S/C16H16FN3O3S/c1-3-9-6-16(21)13(17)7-11(9)10-4-14-12(8-18-19-14)15(5-10)20-24(2,22)23/h4-8,20-21H,3H2,1-2H3,(H,18,19)
InChIKeyITJPSWLLFAUHHO-UHFFFAOYSA-N
XLogP3.01
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.01
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]methanesulfonamide?
The IUPAC name of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide (CID 155549690) is N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide is CCc1cc(O)c(F)cc1-c1cc(NS(C)(=O)=O)c2cn[nH]c2c1.
What is the InChIKey of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide?
The InChIKey is ITJPSWLLFAUHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-3-9-6-16(21)13(17)7-11(9)10-4-14-12(8-18-19-14)15(5-10)20-24(2,22)23/h4-8,20-21H,3H2,1-2H3,(H,18,19).
What are the key properties of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide?
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide has a molecular weight of 349.39 g/mol, XLogP of 3.01, 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]methanesulfonamide is sourced from PubChem (CID 155549690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).