4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide

C18H24N2O3S — CID 110907925

IUPAC4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCC(Nc1ccc(CCO)cc1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C18H24N2O3S/c1-14(19-17-8-4-15(5-9-17)12-13-21)16-6-10-18(11-7-16)24(22,23)20(2)3/h4-11,14,19,21H,12-13H2,1-3H3
InChIKeyJBPKWMOJPFUEEC-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.64
Rot. Bonds7

About 4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide

4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 110907925) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide
PubChem CID110907925
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCC(Nc1ccc(CCO)cc1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C18H24N2O3S/c1-14(19-17-8-4-15(5-9-17)12-13-21)16-6-10-18(11-7-16)24(22,23)20(2)3/h4-11,14,19,21H,12-13H2,1-3H3
InChIKeyJBPKWMOJPFUEEC-UHFFFAOYSA-N
XLogP2.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-[4-(dimethylamino)phenyl]ethylamino]phenyl]ethanol
CID 61238255
2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol
CID 61236945
2-[4-[1-(4-methylphenyl)ethylamino]phenyl]ethanol
CID 61238927
2-[4-[1-(4-fluorophenyl)ethylamino]phenyl]ethanol
CID 61236407
2-[4-[1-(4-ethoxyphenyl)ethylamino]phenyl]ethanol
CID 61236951
N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
CID 94195074
N,N-dimethyl-4-[1-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide
CID 119129540
N,N-dimethyl-4-[2-(1-phenylethylsulfamoyl)ethyl]benzenesulfonamide
CID 110299331
2-(4-propan-2-ylsulfonylphenyl)ethanol
CID 69406011
3-[4-(dimethylsulfamoyl)anilino]butanoic acid
CID 43453879
4-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
4-[(4-hydroxy-2-methylbutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 66107751

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide (CID 110907925) is 4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide is CC(Nc1ccc(CCO)cc1)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is JBPKWMOJPFUEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-14(19-17-8-4-15(5-9-17)12-13-21)16-6-10-18(11-7-16)24(22,23)20(2)3/h4-11,14,19,21H,12-13H2,1-3H3.
What are the key properties of 4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide?
4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 110907925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).