N'-(2-aminoethyl)-N'-[2-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine

C11H17F2N3O2S — CID 62922768

IUPACN'-(2-aminoethyl)-N'-[2-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine
SMILESNCCN(CCN)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H17F2N3O2S/c12-11(13)19(17,18)10-4-2-1-3-9(10)16(7-5-14)8-6-15/h1-4,11H,5-8,14-15H2
InChIKeyQWPREUMUAFAVFT-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.41
Rot. Bonds7

About N'-(2-aminoethyl)-N'-[2-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine

N'-(2-aminoethyl)-N'-[2-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine (PubChem CID 62922768) has the molecular formula C11H17F2N3O2S and a molecular weight of 293.34 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-[2-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-[2-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine
PubChem CID62922768
Molecular FormulaC11H17F2N3O2S
Molecular Weight293.34 g/mol
Exact Mass293.10
IUPAC NameN'-(2-aminoethyl)-N'-[2-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine
SMILESNCCN(CCN)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C11H17F2N3O2S/c12-11(13)19(17,18)10-4-2-1-3-9(10)16(7-5-14)8-6-15/h1-4,11H,5-8,14-15H2
InChIKeyQWPREUMUAFAVFT-UHFFFAOYSA-N
XLogP0.41
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N'-(2-aminoethyl)-N'-[2-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-[2-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-[2-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine (CID 62922768) is N'-(2-aminoethyl)-N'-[2-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-[2-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-[2-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine is NCCN(CCN)c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of N'-(2-aminoethyl)-N'-[2-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine?
The InChIKey is QWPREUMUAFAVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O2S/c12-11(13)19(17,18)10-4-2-1-3-9(10)16(7-5-14)8-6-15/h1-4,11H,5-8,14-15H2.
What are the key properties of N'-(2-aminoethyl)-N'-[2-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-[2-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine has a molecular weight of 293.34 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-[2-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 62922768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).