2,2,2-trifluoro-N-(6-prop-1-enyl-3-pyridinyl)ethanesulfonamide

C10H11F3N2O2S — CID 72543588

IUPAC2,2,2-trifluoro-N-(6-prop-1-enyl-3-pyridinyl)ethanesulfonamide
SMILESCC=Cc1ccc(NS(=O)(=O)CC(F)(F)F)cn1
InChIInChI=1S/C10H11F3N2O2S/c1-2-3-8-4-5-9(6-14-8)15-18(16,17)7-10(11,12)13/h2-6,15H,7H2,1H3
InChIKeyCPZICEHDCKBOMH-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.42
Rot. Bonds4

About 2,2,2-trifluoro-N-(6-prop-1-enyl-3-pyridinyl)ethanesulfonamide

2,2,2-trifluoro-N-(6-prop-1-enyl-3-pyridinyl)ethanesulfonamide (PubChem CID 72543588) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(6-prop-1-enyl-3-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(6-prop-1-enyl-3-pyridinyl)ethanesulfonamide
PubChem CID72543588
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Name2,2,2-trifluoro-N-(6-prop-1-enyl-3-pyridinyl)ethanesulfonamide
SMILESCC=Cc1ccc(NS(=O)(=O)CC(F)(F)F)cn1
InChIInChI=1S/C10H11F3N2O2S/c1-2-3-8-4-5-9(6-14-8)15-18(16,17)7-10(11,12)13/h2-6,15H,7H2,1H3
InChIKeyCPZICEHDCKBOMH-UHFFFAOYSA-N
XLogP2.42
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(6-prop-1-enyl-3-pyridinyl)ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-(6-prop-1-enyl-3-pyridinyl)ethanesulfonamide (CID 72543588) is 2,2,2-trifluoro-N-(6-prop-1-enyl-3-pyridinyl)ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(6-prop-1-enyl-3-pyridinyl)ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-(6-prop-1-enyl-3-pyridinyl)ethanesulfonamide is CC=Cc1ccc(NS(=O)(=O)CC(F)(F)F)cn1.
What is the InChIKey of 2,2,2-trifluoro-N-(6-prop-1-enyl-3-pyridinyl)ethanesulfonamide?
The InChIKey is CPZICEHDCKBOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c1-2-3-8-4-5-9(6-14-8)15-18(16,17)7-10(11,12)13/h2-6,15H,7H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-(6-prop-1-enyl-3-pyridinyl)ethanesulfonamide?
2,2,2-trifluoro-N-(6-prop-1-enyl-3-pyridinyl)ethanesulfonamide has a molecular weight of 280.27 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(6-prop-1-enyl-3-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 72543588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).