[4-[1-(4-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide

C15H18N2O3S — CID 43745245

IUPAC[4-[1-(4-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
SMILESCC(Nc1ccc(CS(N)(=O)=O)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H18N2O3S/c1-11(13-4-8-15(18)9-5-13)17-14-6-2-12(3-7-14)10-21(16,19)20/h2-9,11,17-18H,10H2,1H3,(H2,16,19,20)
InChIKeyREVAGNYXOQALGQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.35
Rot. Bonds5

About [4-[1-(4-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide

[4-[1-(4-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide (PubChem CID 43745245) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is [4-[1-(4-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[1-(4-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
PubChem CID43745245
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name[4-[1-(4-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
SMILESCC(Nc1ccc(CS(N)(=O)=O)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H18N2O3S/c1-11(13-4-8-15(18)9-5-13)17-14-6-2-12(3-7-14)10-21(16,19)20/h2-9,11,17-18H,10H2,1H3,(H2,16,19,20)
InChIKeyREVAGNYXOQALGQ-UHFFFAOYSA-N
XLogP2.35
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-ethylsulfonylanilino)ethyl]phenol
CID 43689686
[4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide
CID 43745219
ethyl 4-[1-(4-hydroxyphenyl)ethylamino]benzoate
CID 43321719
molecular hydrogen;(4-propan-2-ylphenyl)methanesulfonamide
CID 142616935
2-methyl-3-oxo-3-[4-(sulfamoylmethyl)anilino]propanoic acid
CID 114898086
methyl 2-[4-(sulfamoylmethyl)anilino]butanoate
CID 115352982
5-[1-[4-(hydroxymethyl)anilino]ethyl]benzene-1,3-diol
CID 107707113
[4-(ethylamino)phenyl]methanesulfonamide
CID 43745283
3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride
CID 119701893
4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 110907925
2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol
CID 61236945
(2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride
CID 119701898

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide?
The IUPAC name of [4-[1-(4-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide (CID 43745245) is [4-[1-(4-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[1-(4-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide?
The canonical SMILES for [4-[1-(4-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide is CC(Nc1ccc(CS(N)(=O)=O)cc1)c1ccc(O)cc1.
What is the InChIKey of [4-[1-(4-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide?
The InChIKey is REVAGNYXOQALGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11(13-4-8-15(18)9-5-13)17-14-6-2-12(3-7-14)10-21(16,19)20/h2-9,11,17-18H,10H2,1H3,(H2,16,19,20).
What are the key properties of [4-[1-(4-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide?
[4-[1-(4-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 43745245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).