2-[1-(4-ethylsulfonylanilino)ethyl]aniline

C16H20N2O2S — CID 60869841

IUPAC2-[1-(4-ethylsulfonylanilino)ethyl]aniline
SMILESCCS(=O)(=O)c1ccc(NC(C)c2ccccc2N)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-21(19,20)14-10-8-13(9-11-14)18-12(2)15-6-4-5-7-16(15)17/h4-12,18H,3,17H2,1-2H3
InChIKeyGGRMCXBVGWFFHI-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.24
Rot. Bonds5

About 2-[1-(4-ethylsulfonylanilino)ethyl]aniline

2-[1-(4-ethylsulfonylanilino)ethyl]aniline (PubChem CID 60869841) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[1-(4-ethylsulfonylanilino)ethyl]aniline.

Molecular Properties

Compound Name2-[1-(4-ethylsulfonylanilino)ethyl]aniline
PubChem CID60869841
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-[1-(4-ethylsulfonylanilino)ethyl]aniline
SMILESCCS(=O)(=O)c1ccc(NC(C)c2ccccc2N)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-21(19,20)14-10-8-13(9-11-14)18-12(2)15-6-4-5-7-16(15)17/h4-12,18H,3,17H2,1-2H3
InChIKeyGGRMCXBVGWFFHI-UHFFFAOYSA-N
XLogP3.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-ethylsulfonyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43689688
4-ethylsulfonyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64630538
4-[1-(4-ethylsulfonylanilino)ethyl]phenol
CID 43689686
2-(4-ethylsulfonylanilino)propan-1-ol
CID 43500287
N-(3-ethylpentan-2-yl)-4-ethylsulfonylaniline
CID 63838875
4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline
CID 43453355
(2S)-2-(4-ethylsulfonylanilino)-3-methylbutan-1-ol
CID 79246558
(2R)-2-(4-ethylsulfonylanilino)-3-methylbutanoic acid
CID 94161069
N-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide
CID 43298052
N-[1-(2-aminophenyl)ethyl]propanamide
CID 43297760
4-ethylsulfonyl-N-(1-methylsulfinylpropan-2-yl)aniline
CID 113486521
4-ethylsulfonyl-N-(2-methylpropyl)aniline
CID 43453340

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylsulfonylanilino)ethyl]aniline?
The IUPAC name of 2-[1-(4-ethylsulfonylanilino)ethyl]aniline (CID 60869841) is 2-[1-(4-ethylsulfonylanilino)ethyl]aniline.
What is the SMILES notation for 2-[1-(4-ethylsulfonylanilino)ethyl]aniline?
The canonical SMILES for 2-[1-(4-ethylsulfonylanilino)ethyl]aniline is CCS(=O)(=O)c1ccc(NC(C)c2ccccc2N)cc1.
What is the InChIKey of 2-[1-(4-ethylsulfonylanilino)ethyl]aniline?
The InChIKey is GGRMCXBVGWFFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-21(19,20)14-10-8-13(9-11-14)18-12(2)15-6-4-5-7-16(15)17/h4-12,18H,3,17H2,1-2H3.
What are the key properties of 2-[1-(4-ethylsulfonylanilino)ethyl]aniline?
2-[1-(4-ethylsulfonylanilino)ethyl]aniline has a molecular weight of 304.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylsulfonylanilino)ethyl]aniline is sourced from PubChem (CID 60869841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).