2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide

C9H11F3N2O2S — CID 66730612

IUPAC2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)(c1ncccc1S(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C9H11F3N2O2S/c1-8(2,9(10,11)12)7-6(17(13,15)16)4-3-5-14-7/h3-5H,1-2H3,(H2,13,15,16)
InChIKeyMRMJZWFBWYWGDH-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.57
Rot. Bonds2

About 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide

2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide (PubChem CID 66730612) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide
PubChem CID66730612
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)(c1ncccc1S(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C9H11F3N2O2S/c1-8(2,9(10,11)12)7-6(17(13,15)16)4-3-5-14-7/h3-5H,1-2H3,(H2,13,15,16)
InChIKeyMRMJZWFBWYWGDH-UHFFFAOYSA-N
XLogP1.57
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.57
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-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide (CID 66730612) is 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide is CC(C)(c1ncccc1S(N)(=O)=O)C(F)(F)F.
What is the InChIKey of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is MRMJZWFBWYWGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-8(2,9(10,11)12)7-6(17(13,15)16)4-3-5-14-7/h3-5H,1-2H3,(H2,13,15,16).
What are the key properties of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide?
2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 268.26 g/mol, XLogP of 1.57, 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-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 66730612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).