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

C2H5F3N2O2S — CID 87272721

IUPAC1,1,1-trifluoro-2-(sulfamoylamino)ethane
SMILESNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C2H5F3N2O2S/c3-2(4,5)1-7-10(6,8)9/h7H,1H2,(H2,6,8,9)
InChIKeyHAOOTEHUGLCAKV-UHFFFAOYSA-N
MW178.13 g/mol
LogP-0.66
Rot. Bonds2

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

1,1,1-trifluoro-2-(sulfamoylamino)ethane (PubChem CID 87272721) has the molecular formula C2H5F3N2O2S and a molecular weight of 178.13 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(sulfamoylamino)ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(sulfamoylamino)ethane
PubChem CID87272721
Molecular FormulaC2H5F3N2O2S
Molecular Weight178.13 g/mol
Exact Mass178.00
IUPAC Name1,1,1-trifluoro-2-(sulfamoylamino)ethane
SMILESNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C2H5F3N2O2S/c3-2(4,5)1-7-10(6,8)9/h7H,1H2,(H2,6,8,9)
InChIKeyHAOOTEHUGLCAKV-UHFFFAOYSA-N
XLogP-0.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.13
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-2-(sulfinatoamino)ethane
CID 23192792
Difluoroethylsulfamide
CID 112695841
N-(2,2,2-trifluoroethyl)sulfamoyl chloride
CID 13591655
2,2,2-Trifluoroethylsulfamic acid
CID 17804126
2,2,2-Trifluoroethylsulfamate
CID 18378142
sodium;N-(2,2,2-trifluoroethyl)sulfamate
CID 23705466
potassium;N-(3,3,3-trifluoropropyl)sulfamate
CID 23705469
sodium N-(3,3,3-trifluoropropyl)sulfamate
CID 23705471
potassium;N-(2,2,2-trifluoroethyl)sulfamate
CID 23705472
N-(2,2-difluoroethyl)sulfamate
CID 86632791
2,2-Difluoroethylsulfamic acid
CID 86632792
trifluoromethyl N-ethylsulfamate
CID 91451951

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(sulfamoylamino)ethane?
The IUPAC name of 1,1,1-trifluoro-2-(sulfamoylamino)ethane (CID 87272721) is 1,1,1-trifluoro-2-(sulfamoylamino)ethane.
What is the SMILES notation for 1,1,1-trifluoro-2-(sulfamoylamino)ethane?
The canonical SMILES for 1,1,1-trifluoro-2-(sulfamoylamino)ethane is NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(sulfamoylamino)ethane?
The InChIKey is HAOOTEHUGLCAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F3N2O2S/c3-2(4,5)1-7-10(6,8)9/h7H,1H2,(H2,6,8,9).
What are the key properties of 1,1,1-trifluoro-2-(sulfamoylamino)ethane?
1,1,1-trifluoro-2-(sulfamoylamino)ethane has a molecular weight of 178.13 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(sulfamoylamino)ethane is sourced from PubChem (CID 87272721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).