4-[1-(4-ethylsulfonylanilino)ethyl]phenol

C16H19NO3S — CID 43689686

IUPAC4-[1-(4-ethylsulfonylanilino)ethyl]phenol
SMILESCCS(=O)(=O)c1ccc(NC(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C16H19NO3S/c1-3-21(19,20)16-10-6-14(7-11-16)17-12(2)13-4-8-15(18)9-5-13/h4-12,17-18H,3H2,1-2H3
InChIKeyODNSNCBHAPENAR-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.36
Rot. Bonds5

About 4-[1-(4-ethylsulfonylanilino)ethyl]phenol

4-[1-(4-ethylsulfonylanilino)ethyl]phenol (PubChem CID 43689686) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-[1-(4-ethylsulfonylanilino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(4-ethylsulfonylanilino)ethyl]phenol
PubChem CID43689686
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name4-[1-(4-ethylsulfonylanilino)ethyl]phenol
SMILESCCS(=O)(=O)c1ccc(NC(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C16H19NO3S/c1-3-21(19,20)16-10-6-14(7-11-16)17-12(2)13-4-8-15(18)9-5-13/h4-12,17-18H,3H2,1-2H3
InChIKeyODNSNCBHAPENAR-UHFFFAOYSA-N
XLogP3.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylsulfonyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43689688
[4-[1-(4-hydroxyphenyl)ethylamino]phenyl]methanesulfonamide
CID 43745245
2-(4-ethylsulfonylanilino)propan-1-ol
CID 43500287
ethyl 4-[1-(4-hydroxyphenyl)ethylamino]benzoate
CID 43321719
(2S)-2-(4-ethylsulfonylanilino)-3-methylbutan-1-ol
CID 79246558
(2R)-2-(4-ethylsulfonylanilino)-3-methylbutanoic acid
CID 94161069
2-[1-(4-ethylsulfonylanilino)ethyl]aniline
CID 60869841
N-(3-ethylpentan-2-yl)-4-ethylsulfonylaniline
CID 63838875
4-ethylsulfonyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64630538
5-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyridin-2-one
CID 54866004
amino-(4-ethylsulfonylphenyl)methanol
CID 116939662
4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline
CID 43453355

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-ethylsulfonylanilino)ethyl]phenol?
The IUPAC name of 4-[1-(4-ethylsulfonylanilino)ethyl]phenol (CID 43689686) is 4-[1-(4-ethylsulfonylanilino)ethyl]phenol.
What is the SMILES notation for 4-[1-(4-ethylsulfonylanilino)ethyl]phenol?
The canonical SMILES for 4-[1-(4-ethylsulfonylanilino)ethyl]phenol is CCS(=O)(=O)c1ccc(NC(C)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1-(4-ethylsulfonylanilino)ethyl]phenol?
The InChIKey is ODNSNCBHAPENAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-3-21(19,20)16-10-6-14(7-11-16)17-12(2)13-4-8-15(18)9-5-13/h4-12,17-18H,3H2,1-2H3.
What are the key properties of 4-[1-(4-ethylsulfonylanilino)ethyl]phenol?
4-[1-(4-ethylsulfonylanilino)ethyl]phenol has a molecular weight of 305.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-ethylsulfonylanilino)ethyl]phenol is sourced from PubChem (CID 43689686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).