N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine;hydrochloride

C4H11ClF3N3O2S — CID 75478986

IUPACN'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C4H10F3N3O2S.ClH/c5-4(6,7)3-10-13(11,12)9-2-1-8;/h9-10H,1-3,8H2;1H
InChIKeyZPQULIKCFVARKV-UHFFFAOYSA-N
MW257.67 g/mol
LogP-0.65
Rot. Bonds5

About N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine;hydrochloride

N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine;hydrochloride (PubChem CID 75478986) has the molecular formula C4H11ClF3N3O2S and a molecular weight of 257.67 g/mol. Its IUPAC name is N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine;hydrochloride
PubChem CID75478986
Molecular FormulaC4H11ClF3N3O2S
Molecular Weight257.67 g/mol
Exact Mass257.02
IUPAC NameN'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C4H10F3N3O2S.ClH/c5-4(6,7)3-10-13(11,12)9-2-1-8;/h9-10H,1-3,8H2;1H
InChIKeyZPQULIKCFVARKV-UHFFFAOYSA-N
XLogP-0.65
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine;hydrochloride (CID 75478986) is N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine;hydrochloride is Cl.NCCNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is ZPQULIKCFVARKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10F3N3O2S.ClH/c5-4(6,7)3-10-13(11,12)9-2-1-8;/h9-10H,1-3,8H2;1H.
What are the key properties of N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine;hydrochloride?
N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 257.67 g/mol, XLogP of -0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 75478986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).