2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C8H9F3N2O2S — CID 68758162

IUPAC2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESC[C@@H](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)/t5-/m0/s1
InChIKeyOSUSPKJKMNKNCG-YFKPBYRVSA-N
MW254.23 g/mol
LogP1.39
Rot. Bonds2

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

2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 68758162) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID68758162
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESC[C@@H](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)/t5-/m0/s1
InChIKeyOSUSPKJKMNKNCG-YFKPBYRVSA-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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Related Compounds

CID 16723172
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CID 15981397
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CID 13910921
CID 13910921
CID 731623
CID 731623
CID 232710
CID 232710
CID 110453853
CID 110453853
CID 76313006
CID 76313006
CID 44452471
CID 44452471
CID 25237590
CID 25237590
CID 697901
CID 697901
CID 10713528
CID 10713528
CID 10784741
CID 10784741

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 68758162) is 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is C[C@@H](c1ncccc1S(N)(=O)=O)C(F)(F)F.
What is the InChIKey of 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is OSUSPKJKMNKNCG-YFKPBYRVSA-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)/t5-/m0/s1.
What are the key properties of 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
2-[(2S)-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-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 68758162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).