N'-(2-ethylsulfonylphenyl)-1-phenylethane-1,2-diamine

C16H20N2O2S — CID 63120930

IUPACN'-(2-ethylsulfonylphenyl)-1-phenylethane-1,2-diamine
SMILESCCS(=O)(=O)c1ccccc1NCC(N)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-2-21(19,20)16-11-7-6-10-15(16)18-12-14(17)13-8-4-3-5-9-13/h3-11,14,18H,2,12,17H2,1H3
InChIKeyLAOZWCFUMWARLS-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.59
Rot. Bonds6

About N'-(2-ethylsulfonylphenyl)-1-phenylethane-1,2-diamine

N'-(2-ethylsulfonylphenyl)-1-phenylethane-1,2-diamine (PubChem CID 63120930) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N'-(2-ethylsulfonylphenyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethylsulfonylphenyl)-1-phenylethane-1,2-diamine
PubChem CID63120930
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN'-(2-ethylsulfonylphenyl)-1-phenylethane-1,2-diamine
SMILESCCS(=O)(=O)c1ccccc1NCC(N)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-2-21(19,20)16-11-7-6-10-15(16)18-12-14(17)13-8-4-3-5-9-13/h3-11,14,18H,2,12,17H2,1H3
InChIKeyLAOZWCFUMWARLS-UHFFFAOYSA-N
XLogP2.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylsulfonylphenyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N'-(2-ethylsulfonylphenyl)-1-phenylethane-1,2-diamine (CID 63120930) is N'-(2-ethylsulfonylphenyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethylsulfonylphenyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-(2-ethylsulfonylphenyl)-1-phenylethane-1,2-diamine is CCS(=O)(=O)c1ccccc1NCC(N)c1ccccc1.
What is the InChIKey of N'-(2-ethylsulfonylphenyl)-1-phenylethane-1,2-diamine?
The InChIKey is LAOZWCFUMWARLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-2-21(19,20)16-11-7-6-10-15(16)18-12-14(17)13-8-4-3-5-9-13/h3-11,14,18H,2,12,17H2,1H3.
What are the key properties of N'-(2-ethylsulfonylphenyl)-1-phenylethane-1,2-diamine?
N'-(2-ethylsulfonylphenyl)-1-phenylethane-1,2-diamine has a molecular weight of 304.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylsulfonylphenyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 63120930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).