2-(diethylsulfamoylamino)-1,1,1-trifluoroethane

C6H13F3N2O2S — CID 114807154

IUPAC2-(diethylsulfamoylamino)-1,1,1-trifluoroethane
SMILESCCN(CC)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-3-11(4-2)14(12,13)10-5-6(7,8)9/h10H,3-5H2,1-2H3
InChIKeyHSJYIMWZXDTMDQ-UHFFFAOYSA-N
MW234.24 g/mol
LogP0.72
Rot. Bonds5

About 2-(diethylsulfamoylamino)-1,1,1-trifluoroethane

2-(diethylsulfamoylamino)-1,1,1-trifluoroethane (PubChem CID 114807154) has the molecular formula C6H13F3N2O2S and a molecular weight of 234.24 g/mol. Its IUPAC name is 2-(diethylsulfamoylamino)-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-(diethylsulfamoylamino)-1,1,1-trifluoroethane
PubChem CID114807154
Molecular FormulaC6H13F3N2O2S
Molecular Weight234.24 g/mol
Exact Mass234.06
IUPAC Name2-(diethylsulfamoylamino)-1,1,1-trifluoroethane
SMILESCCN(CC)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N2O2S/c1-3-11(4-2)14(12,13)10-5-6(7,8)9/h10H,3-5H2,1-2H3
InChIKeyHSJYIMWZXDTMDQ-UHFFFAOYSA-N
XLogP0.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylsulfamoylamino)-1,1,1-trifluoroethane?
The IUPAC name of 2-(diethylsulfamoylamino)-1,1,1-trifluoroethane (CID 114807154) is 2-(diethylsulfamoylamino)-1,1,1-trifluoroethane.
What is the SMILES notation for 2-(diethylsulfamoylamino)-1,1,1-trifluoroethane?
The canonical SMILES for 2-(diethylsulfamoylamino)-1,1,1-trifluoroethane is CCN(CC)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-(diethylsulfamoylamino)-1,1,1-trifluoroethane?
The InChIKey is HSJYIMWZXDTMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O2S/c1-3-11(4-2)14(12,13)10-5-6(7,8)9/h10H,3-5H2,1-2H3.
What are the key properties of 2-(diethylsulfamoylamino)-1,1,1-trifluoroethane?
2-(diethylsulfamoylamino)-1,1,1-trifluoroethane has a molecular weight of 234.24 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylsulfamoylamino)-1,1,1-trifluoroethane is sourced from PubChem (CID 114807154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).