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

C24H26N4O4S — CID 45380471

IUPACN-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide
SMILESCc1[nH]nc2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)c4ccccc4)c3)ccc12
InChIInChI=1S/C24H26N4O4S/c1-17-22-11-10-20(15-23(22)27-26-17)32-13-12-25-16-24(29)18-6-5-7-19(14-18)28-33(30,31)21-8-3-2-4-9-21/h2-11,14-15,24-25,28-29H,12-13,16H2,1H3,(H,26,27)/t24-/m0/s1
InChIKeyFPWDMMCINVOLSZ-DEOSSOPVSA-N
MW466.56 g/mol
LogP3.37
Rot. Bonds10

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

N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide (PubChem CID 45380471) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide
PubChem CID45380471
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide
SMILESCc1[nH]nc2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)c4ccccc4)c3)ccc12
InChIInChI=1S/C24H26N4O4S/c1-17-22-11-10-20(15-23(22)27-26-17)32-13-12-25-16-24(29)18-6-5-7-19(14-18)28-33(30,31)21-8-3-2-4-9-21/h2-11,14-15,24-25,28-29H,12-13,16H2,1H3,(H,26,27)/t24-/m0/s1
InChIKeyFPWDMMCINVOLSZ-DEOSSOPVSA-N
XLogP3.37
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.37
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]benzenesulfonamide?
The IUPAC name of N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide (CID 45380471) is N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide is Cc1[nH]nc2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)c4ccccc4)c3)ccc12.
What is the InChIKey of N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide?
The InChIKey is FPWDMMCINVOLSZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-17-22-11-10-20(15-23(22)27-26-17)32-13-12-25-16-24(29)18-6-5-7-19(14-18)28-33(30,31)21-8-3-2-4-9-21/h2-11,14-15,24-25,28-29H,12-13,16H2,1H3,(H,26,27)/t24-/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]benzenesulfonamide?
N-[3-[(1R)-1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]benzenesulfonamide has a molecular weight of 466.56 g/mol, XLogP of 3.37, 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]benzenesulfonamide is sourced from PubChem (CID 45380471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).