N'-(diethylsulfamoyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine

C8H19F2N3O2S — CID 107493864

IUPACN'-(diethylsulfamoyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
SMILESCCN(CC)S(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C8H19F2N3O2S/c1-3-12(4-2)16(14,15)13(6-5-11)7-8(9)10/h8H,3-7,11H2,1-2H3
InChIKeyGKNKGRWSCPCMOV-UHFFFAOYSA-N
MW259.32 g/mol
LogP0.10
Rot. Bonds8

About N'-(diethylsulfamoyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine

N'-(diethylsulfamoyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine (PubChem CID 107493864) has the molecular formula C8H19F2N3O2S and a molecular weight of 259.32 g/mol. Its IUPAC name is N'-(diethylsulfamoyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(diethylsulfamoyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
PubChem CID107493864
Molecular FormulaC8H19F2N3O2S
Molecular Weight259.32 g/mol
Exact Mass259.12
IUPAC NameN'-(diethylsulfamoyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
SMILESCCN(CC)S(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C8H19F2N3O2S/c1-3-12(4-2)16(14,15)13(6-5-11)7-8(9)10/h8H,3-7,11H2,1-2H3
InChIKeyGKNKGRWSCPCMOV-UHFFFAOYSA-N
XLogP0.10
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(diethylsulfamoyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(diethylsulfamoyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine (CID 107493864) is N'-(diethylsulfamoyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(diethylsulfamoyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(diethylsulfamoyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine is CCN(CC)S(=O)(=O)N(CCN)CC(F)F.
What is the InChIKey of N'-(diethylsulfamoyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine?
The InChIKey is GKNKGRWSCPCMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19F2N3O2S/c1-3-12(4-2)16(14,15)13(6-5-11)7-8(9)10/h8H,3-7,11H2,1-2H3.
What are the key properties of N'-(diethylsulfamoyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine?
N'-(diethylsulfamoyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine has a molecular weight of 259.32 g/mol, XLogP of 0.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(diethylsulfamoyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107493864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).