6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide

C9H11F3N2O3S — CID 115521683

IUPAC6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NCCCC(F)(F)F)c[nH]1
InChIInChI=1S/C9H11F3N2O3S/c10-9(11,12)4-1-5-14-18(16,17)7-2-3-8(15)13-6-7/h2-3,6,14H,1,4-5H2,(H,13,15)
InChIKeyQSNQQSZVSDWISX-UHFFFAOYSA-N
MW284.26 g/mol
LogP1.00
Rot. Bonds5

About 6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide

6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide (PubChem CID 115521683) has the molecular formula C9H11F3N2O3S and a molecular weight of 284.26 g/mol. Its IUPAC name is 6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide
PubChem CID115521683
Molecular FormulaC9H11F3N2O3S
Molecular Weight284.26 g/mol
Exact Mass284.04
IUPAC Name6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide
SMILESO=c1ccc(S(=O)(=O)NCCCC(F)(F)F)c[nH]1
InChIInChI=1S/C9H11F3N2O3S/c10-9(11,12)4-1-5-14-18(16,17)7-2-3-8(15)13-6-7/h2-3,6,14H,1,4-5H2,(H,13,15)
InChIKeyQSNQQSZVSDWISX-UHFFFAOYSA-N
XLogP1.00
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4,4,4-trifluorobutylsulfamoyl)benzenesulfonyl fluoride
CID 114958441
4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 138979627
N-(3-ethylsulfanylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 114248446
N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629075
N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114128815
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 43629431
N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629041
3-(4,4,4-trifluorobutylsulfamoyl)benzenesulfonyl fluoride
CID 114958442
N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 115520729
N-(3-methyl-2-propan-2-ylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102907510
6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-sulfonamide
CID 115522012
N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 55226077

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide?
The IUPAC name of 6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide (CID 115521683) is 6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for 6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide is O=c1ccc(S(=O)(=O)NCCCC(F)(F)F)c[nH]1.
What is the InChIKey of 6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide?
The InChIKey is QSNQQSZVSDWISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3S/c10-9(11,12)4-1-5-14-18(16,17)7-2-3-8(15)13-6-7/h2-3,6,14H,1,4-5H2,(H,13,15).
What are the key properties of 6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide?
6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide has a molecular weight of 284.26 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 115521683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).