2-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

C8H9F3N2O2S — CID 66730558

IUPAC2-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCC(c1ncccc1S(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C8H9F3N2O2S/c1-5(8(9,10)11)7-6(16(12,14)15)3-2-4-13-7/h2-5H,1H3,(H2,12,14,15)
InChIKeyOSUSPKJKMNKNCG-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.39
Rot. Bonds2

About 2-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

2-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 66730558) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 2-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
PubChem CID66730558
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name2-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCC(c1ncccc1S(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C8H9F3N2O2S/c1-5(8(9,10)11)7-6(16(12,14)15)3-2-4-13-7/h2-5H,1H3,(H2,12,14,15)
InChIKeyOSUSPKJKMNKNCG-UHFFFAOYSA-N
XLogP1.39
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (CID 66730558) is 2-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is CC(c1ncccc1S(N)(=O)=O)C(F)(F)F.
What is the InChIKey of 2-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is OSUSPKJKMNKNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c1-5(8(9,10)11)7-6(16(12,14)15)3-2-4-13-7/h2-5H,1H3,(H2,12,14,15).
What are the key properties of 2-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
2-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 254.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 66730558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).