N-ethylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide

C6H11F3N2O3S — CID 103306748

IUPACN-ethylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCS(=O)(=O)NC(=O)CNCC(F)(F)F
InChIInChI=1S/C6H11F3N2O3S/c1-2-15(13,14)11-5(12)3-10-4-6(7,8)9/h10H,2-4H2,1H3,(H,11,12)
InChIKeyPNZPBRATIBNFMH-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.40
Rot. Bonds5

About N-ethylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide

N-ethylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 103306748) has the molecular formula C6H11F3N2O3S and a molecular weight of 248.23 g/mol. Its IUPAC name is N-ethylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-ethylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID103306748
Molecular FormulaC6H11F3N2O3S
Molecular Weight248.23 g/mol
Exact Mass248.04
IUPAC NameN-ethylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCS(=O)(=O)NC(=O)CNCC(F)(F)F
InChIInChI=1S/C6H11F3N2O3S/c1-2-15(13,14)11-5(12)3-10-4-6(7,8)9/h10H,2-4H2,1H3,(H,11,12)
InChIKeyPNZPBRATIBNFMH-UHFFFAOYSA-N
XLogP-0.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-ethylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide (CID 103306748) is N-ethylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-ethylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-ethylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide is CCS(=O)(=O)NC(=O)CNCC(F)(F)F.
What is the InChIKey of N-ethylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is PNZPBRATIBNFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O3S/c1-2-15(13,14)11-5(12)3-10-4-6(7,8)9/h10H,2-4H2,1H3,(H,11,12).
What are the key properties of N-ethylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide?
N-ethylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 248.23 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonyl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 103306748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).