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

C21H26N4O4S — CID 51347282

IUPACN-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]cyclopropanesulfonamide
SMILESCc1[nH]nc2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CC4)c3)ccc12
InChIInChI=1S/C21H26N4O4S/c1-14-19-8-5-17(12-20(19)24-23-14)29-10-9-22-13-21(26)15-3-2-4-16(11-15)25-30(27,28)18-6-7-18/h2-5,8,11-12,18,21-22,25-26H,6-7,9-10,13H2,1H3,(H,23,24)/t21-/m0/s1
InChIKeyMNJJOJYVEFHKIU-NRFANRHFSA-N
MW430.53 g/mol
LogP2.48
Rot. Bonds10

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

N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]cyclopropanesulfonamide (PubChem CID 51347282) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]cyclopropanesulfonamide
PubChem CID51347282
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC NameN-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]cyclopropanesulfonamide
SMILESCc1[nH]nc2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CC4)c3)ccc12
InChIInChI=1S/C21H26N4O4S/c1-14-19-8-5-17(12-20(19)24-23-14)29-10-9-22-13-21(26)15-3-2-4-16(11-15)25-30(27,28)18-6-7-18/h2-5,8,11-12,18,21-22,25-26H,6-7,9-10,13H2,1H3,(H,23,24)/t21-/m0/s1
InChIKeyMNJJOJYVEFHKIU-NRFANRHFSA-N
XLogP2.48
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.48
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]cyclopropanesulfonamide (CID 51347282) is N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]cyclopropanesulfonamide is Cc1[nH]nc2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CC4)c3)ccc12.
What is the InChIKey of N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]cyclopropanesulfonamide?
The InChIKey is MNJJOJYVEFHKIU-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-14-19-8-5-17(12-20(19)24-23-14)29-10-9-22-13-21(26)15-3-2-4-16(11-15)25-30(27,28)18-6-7-18/h2-5,8,11-12,18,21-22,25-26H,6-7,9-10,13H2,1H3,(H,23,24)/t21-/m0/s1.
What are the key properties of N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]cyclopropanesulfonamide?
N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]cyclopropanesulfonamide has a molecular weight of 430.53 g/mol, XLogP of 2.48, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 51347282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).