1,1,2-trifluoro-2-(sulfamoylamino)ethane

C2H5F3N2O2S — CID 174493044

IUPAC1,1,2-trifluoro-2-(sulfamoylamino)ethane
SMILESNS(=O)(=O)NC(F)C(F)F
InChIInChI=1S/C2H5F3N2O2S/c3-1(4)2(5)7-10(6,8)9/h1-2,7H,(H2,6,8,9)
InChIKeyWCNHQBGYVPIONH-UHFFFAOYSA-N
MW178.14 g/mol
LogP-0.66
Rot. Bonds3

About 1,1,2-trifluoro-2-(sulfamoylamino)ethane

1,1,2-trifluoro-2-(sulfamoylamino)ethane (PubChem CID 174493044) has the molecular formula C2H5F3N2O2S and a molecular weight of 178.14 g/mol. Its IUPAC name is 1,1,2-trifluoro-2-(sulfamoylamino)ethane.

Molecular Properties

Compound Name1,1,2-trifluoro-2-(sulfamoylamino)ethane
PubChem CID174493044
Molecular FormulaC2H5F3N2O2S
Molecular Weight178.14 g/mol
Exact Mass178.00
IUPAC Name1,1,2-trifluoro-2-(sulfamoylamino)ethane
SMILESNS(=O)(=O)NC(F)C(F)F
InChIInChI=1S/C2H5F3N2O2S/c3-1(4)2(5)7-10(6,8)9/h1-2,7H,(H2,6,8,9)
InChIKeyWCNHQBGYVPIONH-UHFFFAOYSA-N
XLogP-0.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,1,1-Trifluoro-3-(sulfinatoamino)propane
CID 17933131
Difluoroethylsulfamide
CID 112695841
(2-Aminoethyl)[(2,2,2-trifluoroethyl)sulfamoyl]amine hydrochloride
CID 75478986
2,2,2-Trifluoroethylsulfamic acid
CID 17804126
3,3,3-Trifluoropropylsulfamic acid
CID 17804131
2,2,2-Trifluoroethylsulfamate
CID 18378142
N-(1,2,2-trifluoroethyl)sulfamoyl chloride
CID 21867276
potassium;N-(3,3,3-trifluoropropyl)sulfamate
CID 23705469
sodium N-(3,3,3-trifluoropropyl)sulfamate
CID 23705471
N-(2-aminoethyl)-1,1,1-trifluoromethanesulfonamide
CID 43603512
N-(2,2-difluoroethyl)sulfamate
CID 86632791
2,2-Difluoroethylsulfamic acid
CID 86632792

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-2-(sulfamoylamino)ethane?
The IUPAC name of 1,1,2-trifluoro-2-(sulfamoylamino)ethane (CID 174493044) is 1,1,2-trifluoro-2-(sulfamoylamino)ethane.
What is the SMILES notation for 1,1,2-trifluoro-2-(sulfamoylamino)ethane?
The canonical SMILES for 1,1,2-trifluoro-2-(sulfamoylamino)ethane is NS(=O)(=O)NC(F)C(F)F.
What is the InChIKey of 1,1,2-trifluoro-2-(sulfamoylamino)ethane?
The InChIKey is WCNHQBGYVPIONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F3N2O2S/c3-1(4)2(5)7-10(6,8)9/h1-2,7H,(H2,6,8,9).
What are the key properties of 1,1,2-trifluoro-2-(sulfamoylamino)ethane?
1,1,2-trifluoro-2-(sulfamoylamino)ethane has a molecular weight of 178.14 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-2-(sulfamoylamino)ethane is sourced from PubChem (CID 174493044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).