N-[3-[(1R)-1-hydroxy-2-[2-[[3-(hydroxymethyl)-2H-indazol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide

C19H24N4O5S — CID 122184835

IUPACN-[3-[(1R)-1-hydroxy-2-[2-[[3-(hydroxymethyl)-2H-indazol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(CO)[nH]nc3c2)c1
InChIInChI=1S/C19H24N4O5S/c1-29(26,27)23-14-4-2-3-13(9-14)19(25)11-20-7-8-28-15-5-6-16-17(10-15)21-22-18(16)12-24/h2-6,9-10,19-20,23-25H,7-8,11-12H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyGORSCQUEQDKPEB-IBGZPJMESA-N
MW420.49 g/mol
LogP1.13
Rot. Bonds10

About N-[3-[(1R)-1-hydroxy-2-[2-[[3-(hydroxymethyl)-2H-indazol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide

N-[3-[(1R)-1-hydroxy-2-[2-[[3-(hydroxymethyl)-2H-indazol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide (PubChem CID 122184835) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[3-[(1R)-1-hydroxy-2-[2-[[3-(hydroxymethyl)-2H-indazol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-hydroxy-2-[2-[[3-(hydroxymethyl)-2H-indazol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide
PubChem CID122184835
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC NameN-[3-[(1R)-1-hydroxy-2-[2-[[3-(hydroxymethyl)-2H-indazol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(CO)[nH]nc3c2)c1
InChIInChI=1S/C19H24N4O5S/c1-29(26,27)23-14-4-2-3-13(9-14)19(25)11-20-7-8-28-15-5-6-16-17(10-15)21-22-18(16)12-24/h2-6,9-10,19-20,23-25H,7-8,11-12H2,1H3,(H,21,22)/t19-/m0/s1
InChIKeyGORSCQUEQDKPEB-IBGZPJMESA-N
XLogP1.13
TPSA136.57 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 10135864
N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 10180440
N-[3-[(1R)-2-[2-[(3-cyclobutyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]methanesulfonamide
CID 45280021
N-[3-[(1R)-2-[2-[(3-cyclopropyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]methanesulfonamide
CID 45280075
N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]propane-2-sulfonamide
CID 45380469
N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide
CID 45380471
(R)-N-(3-(1-hydroxy-2-(2-(3-ethylindazol-6-yloxy)ethylamino)ethyl)phenyl)methanesulfonamide
CID 45381852
N-[3-[(1R)-1-hydroxy-2-[2-[(3-propan-2-yl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 45381932
(R)-1-(3-(Methanesulfonylamino)phenyl)-2-(2-(3-trifluoromethyl-1H-indazole-6-yloxy)ethylamino)ethanol
CID 45381933
N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]cyclopropanesulfonamide
CID 51347282
beta3-AR agonist 1
CID 51349173
N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]cyclopentanesulfonamide
CID 68155065

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-hydroxy-2-[2-[[3-(hydroxymethyl)-2H-indazol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(1R)-1-hydroxy-2-[2-[[3-(hydroxymethyl)-2H-indazol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide (CID 122184835) is N-[3-[(1R)-1-hydroxy-2-[2-[[3-(hydroxymethyl)-2H-indazol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(1R)-1-hydroxy-2-[2-[[3-(hydroxymethyl)-2H-indazol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(1R)-1-hydroxy-2-[2-[[3-(hydroxymethyl)-2H-indazol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(CO)[nH]nc3c2)c1.
What is the InChIKey of N-[3-[(1R)-1-hydroxy-2-[2-[[3-(hydroxymethyl)-2H-indazol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide?
The InChIKey is GORSCQUEQDKPEB-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-29(26,27)23-14-4-2-3-13(9-14)19(25)11-20-7-8-28-15-5-6-16-17(10-15)21-22-18(16)12-24/h2-6,9-10,19-20,23-25H,7-8,11-12H2,1H3,(H,21,22)/t19-/m0/s1.
What are the key properties of N-[3-[(1R)-1-hydroxy-2-[2-[[3-(hydroxymethyl)-2H-indazol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide?
N-[3-[(1R)-1-hydroxy-2-[2-[[3-(hydroxymethyl)-2H-indazol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide has a molecular weight of 420.49 g/mol, XLogP of 1.13, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-hydroxy-2-[2-[[3-(hydroxymethyl)-2H-indazol-6-yl]oxy]ethylamino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 122184835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).