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

C19H24N4O5S — CID 10180440

IUPACN-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
SMILESCOc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12
InChIInChI=1S/C19H24N4O5S/c1-27-19-16-7-6-15(11-17(16)21-22-19)28-9-8-20-12-18(24)13-4-3-5-14(10-13)23-29(2,25)26/h3-7,10-11,18,20,23-24H,8-9,12H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyWTCHZYIFRBIPOB-SFHVURJKSA-N
MW420.49 g/mol
LogP1.64
Rot. Bonds10

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

N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide (PubChem CID 10180440) 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-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
PubChem CID10180440
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC NameN-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
SMILESCOc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12
InChIInChI=1S/C19H24N4O5S/c1-27-19-16-7-6-15(11-17(16)21-22-19)28-9-8-20-12-18(24)13-4-3-5-14(10-13)23-29(2,25)26/h3-7,10-11,18,20,23-24H,8-9,12H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyWTCHZYIFRBIPOB-SFHVURJKSA-N
XLogP1.64
TPSA125.57 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide (CID 10180440) is N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide is COc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12.
What is the InChIKey of N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide?
The InChIKey is WTCHZYIFRBIPOB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-27-19-16-7-6-15(11-17(16)21-22-19)28-9-8-20-12-18(24)13-4-3-5-14(10-13)23-29(2,25)26/h3-7,10-11,18,20,23-24H,8-9,12H2,1-2H3,(H,21,22)/t18-/m0/s1.
What are the key properties of N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide?
N-[3-[(1R)-1-hydroxy-2-[2-[(3-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide has a molecular weight of 420.49 g/mol, XLogP of 1.64, 10 rotatable bonds, 4 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-methoxy-1H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 10180440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).