N-(benzenesulfonyl)-N-(2,2,2-trifluoroethyl)acetamide

C10H10F3NO3S — CID 168810785

IUPACN-(benzenesulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)N(CC(F)(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H10F3NO3S/c1-8(15)14(7-10(11,12)13)18(16,17)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyZVWOZKNQILWXTB-UHFFFAOYSA-N
MW281.25 g/mol
LogP1.79
Rot. Bonds3

About N-(benzenesulfonyl)-N-(2,2,2-trifluoroethyl)acetamide

N-(benzenesulfonyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 168810785) has the molecular formula C10H10F3NO3S and a molecular weight of 281.25 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID168810785
Molecular FormulaC10H10F3NO3S
Molecular Weight281.25 g/mol
Exact Mass281.03
IUPAC NameN-(benzenesulfonyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)N(CC(F)(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H10F3NO3S/c1-8(15)14(7-10(11,12)13)18(16,17)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyZVWOZKNQILWXTB-UHFFFAOYSA-N
XLogP1.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(benzenesulfonyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 168810785) is N-(benzenesulfonyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(=O)N(CC(F)(F)F)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZVWOZKNQILWXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3S/c1-8(15)14(7-10(11,12)13)18(16,17)9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of N-(benzenesulfonyl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(benzenesulfonyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 281.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 168810785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).