4-ethylsulfonyl-N-(3-phenylpropyl)aniline

C17H21NO2S — CID 43689628

IUPAC4-ethylsulfonyl-N-(3-phenylpropyl)aniline
SMILESCCS(=O)(=O)c1ccc(NCCCc2ccccc2)cc1
InChIInChI=1S/C17H21NO2S/c1-2-21(19,20)17-12-10-16(11-13-17)18-14-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-13,18H,2,6,9,14H2,1H3
InChIKeyGKDVKIIGEVJULG-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.52
Rot. Bonds7

About 4-ethylsulfonyl-N-(3-phenylpropyl)aniline

4-ethylsulfonyl-N-(3-phenylpropyl)aniline (PubChem CID 43689628) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-(3-phenylpropyl)aniline.

Molecular Properties

Compound Name4-ethylsulfonyl-N-(3-phenylpropyl)aniline
PubChem CID43689628
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name4-ethylsulfonyl-N-(3-phenylpropyl)aniline
SMILESCCS(=O)(=O)c1ccc(NCCCc2ccccc2)cc1
InChIInChI=1S/C17H21NO2S/c1-2-21(19,20)17-12-10-16(11-13-17)18-14-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-13,18H,2,6,9,14H2,1H3
InChIKeyGKDVKIIGEVJULG-UHFFFAOYSA-N
XLogP3.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide
CID 112984765
4-ethylsulfonyl-N-pentylaniline
CID 43453358
N-(3-chloropropyl)-4-ethylsulfonylaniline
CID 65029662
4-methylsulfonyl-N-(2-phenylethyl)aniline
CID 4654221
6-(4-ethylsulfonylanilino)hexan-1-ol
CID 103867994
N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide
CID 112980309
N-butyl-4-propylsulfonylaniline
CID 43453437
N-[3-(4-propylphenyl)propyl]aniline
CID 90752574
4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline
CID 83963050
4-tert-butyl-N-(4-phenylbutyl)aniline
CID 114333099
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
4-phenoxy-N-(3-phenylpropyl)aniline
CID 39430776

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-(3-phenylpropyl)aniline?
The IUPAC name of 4-ethylsulfonyl-N-(3-phenylpropyl)aniline (CID 43689628) is 4-ethylsulfonyl-N-(3-phenylpropyl)aniline.
What is the SMILES notation for 4-ethylsulfonyl-N-(3-phenylpropyl)aniline?
The canonical SMILES for 4-ethylsulfonyl-N-(3-phenylpropyl)aniline is CCS(=O)(=O)c1ccc(NCCCc2ccccc2)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-(3-phenylpropyl)aniline?
The InChIKey is GKDVKIIGEVJULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-2-21(19,20)17-12-10-16(11-13-17)18-14-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-13,18H,2,6,9,14H2,1H3.
What are the key properties of 4-ethylsulfonyl-N-(3-phenylpropyl)aniline?
4-ethylsulfonyl-N-(3-phenylpropyl)aniline has a molecular weight of 303.43 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-(3-phenylpropyl)aniline is sourced from PubChem (CID 43689628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).