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

C17H18FN3O3S — CID 155552853

IUPACN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-N-methylmethanesulfonamide
SMILESCCc1cc(O)c(F)cc1-c1cc(N(C)S(C)(=O)=O)c2cn[nH]c2c1
InChIInChI=1S/C17H18FN3O3S/c1-4-10-7-17(22)14(18)8-12(10)11-5-15-13(9-19-20-15)16(6-11)21(2)25(3,23)24/h5-9,22H,4H2,1-3H3,(H,19,20)
InChIKeyKAOAFTNEHBACSA-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.03
Rot. Bonds4

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

N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-N-methylmethanesulfonamide (PubChem CID 155552853) 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]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-N-methylmethanesulfonamide
PubChem CID155552853
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC NameN-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-N-methylmethanesulfonamide
SMILESCCc1cc(O)c(F)cc1-c1cc(N(C)S(C)(=O)=O)c2cn[nH]c2c1
InChIInChI=1S/C17H18FN3O3S/c1-4-10-7-17(22)14(18)8-12(10)11-5-15-13(9-19-20-15)16(6-11)21(2)25(3,23)24/h5-9,22H,4H2,1-3H3,(H,19,20)
InChIKeyKAOAFTNEHBACSA-UHFFFAOYSA-N
XLogP3.03
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
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]-N-methylmethanesulfonamide?
The IUPAC name of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-N-methylmethanesulfonamide (CID 155552853) is N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-N-methylmethanesulfonamide is CCc1cc(O)c(F)cc1-c1cc(N(C)S(C)(=O)=O)c2cn[nH]c2c1.
What is the InChIKey of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-N-methylmethanesulfonamide?
The InChIKey is KAOAFTNEHBACSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-4-10-7-17(22)14(18)8-12(10)11-5-15-13(9-19-20-15)16(6-11)21(2)25(3,23)24/h5-9,22H,4H2,1-3H3,(H,19,20).
What are the key properties of N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-N-methylmethanesulfonamide?
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-N-methylmethanesulfonamide has a molecular weight of 363.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 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]-N-methylmethanesulfonamide is sourced from PubChem (CID 155552853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).