N-(2-ethylsulfonylethyl)-4-phenylaniline

C16H19NO2S — CID 62253497

IUPACN-(2-ethylsulfonylethyl)-4-phenylaniline
SMILESCCS(=O)(=O)CCNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H19NO2S/c1-2-20(18,19)13-12-17-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,17H,2,12-13H2,1H3
InChIKeyVKWPVNVJZVSFNX-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.20
Rot. Bonds6

About N-(2-ethylsulfonylethyl)-4-phenylaniline

N-(2-ethylsulfonylethyl)-4-phenylaniline (PubChem CID 62253497) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-4-phenylaniline.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-4-phenylaniline
PubChem CID62253497
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-(2-ethylsulfonylethyl)-4-phenylaniline
SMILESCCS(=O)(=O)CCNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H19NO2S/c1-2-20(18,19)13-12-17-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,17H,2,12-13H2,1H3
InChIKeyVKWPVNVJZVSFNX-UHFFFAOYSA-N
XLogP3.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-4-phenylaniline?
The IUPAC name of N-(2-ethylsulfonylethyl)-4-phenylaniline (CID 62253497) is N-(2-ethylsulfonylethyl)-4-phenylaniline.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-4-phenylaniline?
The canonical SMILES for N-(2-ethylsulfonylethyl)-4-phenylaniline is CCS(=O)(=O)CCNc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-4-phenylaniline?
The InChIKey is VKWPVNVJZVSFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-2-20(18,19)13-12-17-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,17H,2,12-13H2,1H3.
What are the key properties of N-(2-ethylsulfonylethyl)-4-phenylaniline?
N-(2-ethylsulfonylethyl)-4-phenylaniline has a molecular weight of 289.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-4-phenylaniline is sourced from PubChem (CID 62253497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).