N-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide

C17H19N3O3S — CID 155554939

IUPACN-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
SMILESCCc1cc(O)ccc1-c1cc(NS(=O)(=O)CC)c2cn[nH]c2c1
InChIInChI=1S/C17H19N3O3S/c1-3-11-7-13(21)5-6-14(11)12-8-16-15(10-18-19-16)17(9-12)20-24(22,23)4-2/h5-10,20-21H,3-4H2,1-2H3,(H,18,19)
InChIKeyCHCHPWIXBXXYRP-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.26
Rot. Bonds5

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

N-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide (PubChem CID 155554939) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
PubChem CID155554939
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
SMILESCCc1cc(O)ccc1-c1cc(NS(=O)(=O)CC)c2cn[nH]c2c1
InChIInChI=1S/C17H19N3O3S/c1-3-11-7-13(21)5-6-14(11)12-8-16-15(10-18-19-16)17(9-12)20-24(22,23)4-2/h5-10,20-21H,3-4H2,1-2H3,(H,18,19)
InChIKeyCHCHPWIXBXXYRP-UHFFFAOYSA-N
XLogP3.26
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.26
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-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide?
The IUPAC name of N-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide (CID 155554939) is N-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide is CCc1cc(O)ccc1-c1cc(NS(=O)(=O)CC)c2cn[nH]c2c1.
What is the InChIKey of N-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide?
The InChIKey is CHCHPWIXBXXYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-3-11-7-13(21)5-6-14(11)12-8-16-15(10-18-19-16)17(9-12)20-24(22,23)4-2/h5-10,20-21H,3-4H2,1-2H3,(H,18,19).
What are the key properties of N-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide?
N-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 155554939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).