N-[3-[2-[2-[(3-cyclopropyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]ethanesulfonamide

C22H28N4O4S — CID 59370734

IUPACN-[3-[2-[2-[(3-cyclopropyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(C(O)CNCCOc2ccc3c(C4CC4)[nH]nc3c2)c1
InChIInChI=1S/C22H28N4O4S/c1-2-31(28,29)26-17-5-3-4-16(12-17)21(27)14-23-10-11-30-18-8-9-19-20(13-18)24-25-22(19)15-6-7-15/h3-5,8-9,12-13,15,21,23,26-27H,2,6-7,10-11,14H2,1H3,(H,24,25)
InChIKeyAAOZRYHBYIQVEU-UHFFFAOYSA-N
MW444.56 g/mol
LogP2.90
Rot. Bonds11

About N-[3-[2-[2-[(3-cyclopropyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]ethanesulfonamide

N-[3-[2-[2-[(3-cyclopropyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]ethanesulfonamide (PubChem CID 59370734) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[3-[2-[2-[(3-cyclopropyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[2-[(3-cyclopropyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]ethanesulfonamide
PubChem CID59370734
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC NameN-[3-[2-[2-[(3-cyclopropyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(C(O)CNCCOc2ccc3c(C4CC4)[nH]nc3c2)c1
InChIInChI=1S/C22H28N4O4S/c1-2-31(28,29)26-17-5-3-4-16(12-17)21(27)14-23-10-11-30-18-8-9-19-20(13-18)24-25-22(19)15-6-7-15/h3-5,8-9,12-13,15,21,23,26-27H,2,6-7,10-11,14H2,1H3,(H,24,25)
InChIKeyAAOZRYHBYIQVEU-UHFFFAOYSA-N
XLogP2.90
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-[2-[(3-cyclobutyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]cyclobutanesulfonamide
CID 75628389
N-[3-[1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
CID 58961388
N-[3-[(1R)-2-[2-[(3-chloro-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]cyclopropanesulfonamide
CID 51347729
N-[2-chloro-5-[(1R)-2-[2-[(3-cyclobutyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]methanesulfonamide
CID 45280024
N-[3-[(1R)-2-[2-[(3-ethyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]thiophene-2-sulfonamide
CID 70656983
2,4,5-trifluoro-N-[3-[1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide
CID 70656863
3-bromo-N-[3-[1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide
CID 70657373
3-amino-N-[3-[(1R)-1-hydroxy-2-[2-[(3-propan-2-yl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide
CID 51347731
2,5-difluoro-N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide
CID 51348037
N-[3-[2-[2-[(3-ethyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]-2,4-difluorobenzenesulfonamide
CID 70657116
N-[3-[(1R)-1-hydroxy-2-[2-[[3-(trifluoromethyl)-2H-indazol-6-yl]oxy]ethylamino]ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 88850759
N-[3-[(1R)-1-hydroxy-2-[2-[(7-methylsulfonyl-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide;hydrochloride
CID 70037263

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-[(3-cyclopropyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[3-[2-[2-[(3-cyclopropyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]ethanesulfonamide (CID 59370734) is N-[3-[2-[2-[(3-cyclopropyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-[2-[2-[(3-cyclopropyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-[2-[2-[(3-cyclopropyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(C(O)CNCCOc2ccc3c(C4CC4)[nH]nc3c2)c1.
What is the InChIKey of N-[3-[2-[2-[(3-cyclopropyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]ethanesulfonamide?
The InChIKey is AAOZRYHBYIQVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-2-31(28,29)26-17-5-3-4-16(12-17)21(27)14-23-10-11-30-18-8-9-19-20(13-18)24-25-22(19)15-6-7-15/h3-5,8-9,12-13,15,21,23,26-27H,2,6-7,10-11,14H2,1H3,(H,24,25).
What are the key properties of N-[3-[2-[2-[(3-cyclopropyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]ethanesulfonamide?
N-[3-[2-[2-[(3-cyclopropyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]ethanesulfonamide has a molecular weight of 444.56 g/mol, XLogP of 2.90, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[(3-cyclopropyl-2H-indazol-6-yl)oxy]ethylamino]-1-hydroxyethyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 59370734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).