N-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-4-yl]ethanesulfonamide

C16H17N3O4S — CID 155559746

IUPACN-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2ccc(O)c(OC)c2)cc2[nH]ncc12
InChIInChI=1S/C16H17N3O4S/c1-3-24(21,22)19-14-7-11(6-13-12(14)9-17-18-13)10-4-5-15(20)16(8-10)23-2/h4-9,19-20H,3H2,1-2H3,(H,17,18)
InChIKeyWIXNJAYCHQCWTQ-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.71
Rot. Bonds5

About N-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-4-yl]ethanesulfonamide

N-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-4-yl]ethanesulfonamide (PubChem CID 155559746) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
PubChem CID155559746
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2ccc(O)c(OC)c2)cc2[nH]ncc12
InChIInChI=1S/C16H17N3O4S/c1-3-24(21,22)19-14-7-11(6-13-12(14)9-17-18-13)10-4-5-15(20)16(8-10)23-2/h4-9,19-20H,3H2,1-2H3,(H,17,18)
InChIKeyWIXNJAYCHQCWTQ-UHFFFAOYSA-N
XLogP2.71
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol
CID 135839302
N-[6-(3-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155540191
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155540484
methyl 3-[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]sulfamoyl]propanoate
CID 155540621
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]propane-2-sulfonamide
CID 155541077
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]cyclopentanesulfonamide
CID 155542401
N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide
CID 155544706
N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155546232
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide
CID 155549690
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-methoxyethanesulfonamide
CID 155550308
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-hydroxyethanesulfonamide
CID 155552333
N-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155554939

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-4-yl]ethanesulfonamide?
The IUPAC name of N-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-4-yl]ethanesulfonamide (CID 155559746) is N-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-4-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2ccc(O)c(OC)c2)cc2[nH]ncc12.
What is the InChIKey of N-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-4-yl]ethanesulfonamide?
The InChIKey is WIXNJAYCHQCWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-3-24(21,22)19-14-7-11(6-13-12(14)9-17-18-13)10-4-5-15(20)16(8-10)23-2/h4-9,19-20H,3H2,1-2H3,(H,17,18).
What are the key properties of N-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-4-yl]ethanesulfonamide?
N-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-4-yl]ethanesulfonamide has a molecular weight of 347.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 155559746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).