(1R)-1-(3-chlorophenyl)-2-[2-[4-[dimethylsulfamoyl(methyl)amino]phenyl]ethylamino]ethanol

C19H26ClN3O3S — CID 10295131

IUPAC(1R)-1-(3-chlorophenyl)-2-[2-[4-[dimethylsulfamoyl(methyl)amino]phenyl]ethylamino]ethanol
SMILESCN(C)S(=O)(=O)N(C)c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H26ClN3O3S/c1-22(2)27(25,26)23(3)18-9-7-15(8-10-18)11-12-21-14-19(24)16-5-4-6-17(20)13-16/h4-10,13,19,21,24H,11-12,14H2,1-3H3/t19-/m0/s1
InChIKeyAULBTWGSEOLSAY-IBGZPJMESA-N
MW411.96 g/mol
LogP2.45
Rot. Bonds9

About (1R)-1-(3-chlorophenyl)-2-[2-[4-[dimethylsulfamoyl(methyl)amino]phenyl]ethylamino]ethanol

(1R)-1-(3-chlorophenyl)-2-[2-[4-[dimethylsulfamoyl(methyl)amino]phenyl]ethylamino]ethanol (PubChem CID 10295131) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-2-[2-[4-[dimethylsulfamoyl(methyl)amino]phenyl]ethylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-2-[2-[4-[dimethylsulfamoyl(methyl)amino]phenyl]ethylamino]ethanol
PubChem CID10295131
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC Name(1R)-1-(3-chlorophenyl)-2-[2-[4-[dimethylsulfamoyl(methyl)amino]phenyl]ethylamino]ethanol
SMILESCN(C)S(=O)(=O)N(C)c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H26ClN3O3S/c1-22(2)27(25,26)23(3)18-9-7-15(8-10-18)11-12-21-14-19(24)16-5-4-6-17(20)13-16/h4-10,13,19,21,24H,11-12,14H2,1-3H3/t19-/m0/s1
InChIKeyAULBTWGSEOLSAY-IBGZPJMESA-N
XLogP2.45
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (1R)-1-(3-chlorophenyl)-2-[2-[4-[dimethylsulfamoyl(methyl)amino]phenyl]ethylamino]ethanol?
The IUPAC name of (1R)-1-(3-chlorophenyl)-2-[2-[4-[dimethylsulfamoyl(methyl)amino]phenyl]ethylamino]ethanol (CID 10295131) is (1R)-1-(3-chlorophenyl)-2-[2-[4-[dimethylsulfamoyl(methyl)amino]phenyl]ethylamino]ethanol.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-2-[2-[4-[dimethylsulfamoyl(methyl)amino]phenyl]ethylamino]ethanol?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-2-[2-[4-[dimethylsulfamoyl(methyl)amino]phenyl]ethylamino]ethanol is CN(C)S(=O)(=O)N(C)c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-2-[2-[4-[dimethylsulfamoyl(methyl)amino]phenyl]ethylamino]ethanol?
The InChIKey is AULBTWGSEOLSAY-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26ClN3O3S/c1-22(2)27(25,26)23(3)18-9-7-15(8-10-18)11-12-21-14-19(24)16-5-4-6-17(20)13-16/h4-10,13,19,21,24H,11-12,14H2,1-3H3/t19-/m0/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-2-[2-[4-[dimethylsulfamoyl(methyl)amino]phenyl]ethylamino]ethanol?
(1R)-1-(3-chlorophenyl)-2-[2-[4-[dimethylsulfamoyl(methyl)amino]phenyl]ethylamino]ethanol has a molecular weight of 411.96 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-2-[2-[4-[dimethylsulfamoyl(methyl)amino]phenyl]ethylamino]ethanol is sourced from PubChem (CID 10295131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).