pyridine-3-sulfonamide;bis(2,2,2-trifluoroacetic acid)

C9H8F6N2O6S — CID 162322934

IUPACpyridine-3-sulfonamide;bis(2,2,2-trifluoroacetic acid)
SMILESNS(=O)(=O)c1cccnc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C5H6N2O2S.2C2HF3O2/c6-10(8,9)5-2-1-3-7-4-5;2*3-2(4,5)1(6)7/h1-4H,(H2,6,8,9);2*(H,6,7)
InChIKeyNOBRIGIASNGULR-UHFFFAOYSA-N
MW386.23 g/mol
LogP1.00
Rot. Bonds1

About pyridine-3-sulfonamide;bis(2,2,2-trifluoroacetic acid)

pyridine-3-sulfonamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 162322934) has the molecular formula C9H8F6N2O6S and a molecular weight of 386.23 g/mol. Its IUPAC name is pyridine-3-sulfonamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Namepyridine-3-sulfonamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID162322934
Molecular FormulaC9H8F6N2O6S
Molecular Weight386.23 g/mol
Exact Mass386.00
IUPAC Namepyridine-3-sulfonamide;bis(2,2,2-trifluoroacetic acid)
SMILESNS(=O)(=O)c1cccnc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C5H6N2O2S.2C2HF3O2/c6-10(8,9)5-2-1-3-7-4-5;2*3-2(4,5)1(6)7/h1-4H,(H2,6,8,9);2*(H,6,7)
InChIKeyNOBRIGIASNGULR-UHFFFAOYSA-N
XLogP1.00
TPSA147.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.23
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyridine-3-sulfonamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of pyridine-3-sulfonamide;bis(2,2,2-trifluoroacetic acid) (CID 162322934) is pyridine-3-sulfonamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for pyridine-3-sulfonamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for pyridine-3-sulfonamide;bis(2,2,2-trifluoroacetic acid) is NS(=O)(=O)c1cccnc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of pyridine-3-sulfonamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is NOBRIGIASNGULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S.2C2HF3O2/c6-10(8,9)5-2-1-3-7-4-5;2*3-2(4,5)1(6)7/h1-4H,(H2,6,8,9);2*(H,6,7).
What are the key properties of pyridine-3-sulfonamide;bis(2,2,2-trifluoroacetic acid)?
pyridine-3-sulfonamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 386.23 g/mol, XLogP of 1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-3-sulfonamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 162322934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).