2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide

C11H16F3N3O2S — CID 115522007

IUPAC2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)NCCCC(F)(F)F)ccn1
InChIInChI=1S/C11H16F3N3O2S/c1-2-15-10-8-9(4-7-16-10)20(18,19)17-6-3-5-11(12,13)14/h4,7-8,17H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyMKHMLRQNGODLBV-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.13
Rot. Bonds7

About 2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide

2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide (PubChem CID 115522007) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide
PubChem CID115522007
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)NCCCC(F)(F)F)ccn1
InChIInChI=1S/C11H16F3N3O2S/c1-2-15-10-8-9(4-7-16-10)20(18,19)17-6-3-5-11(12,13)14/h4,7-8,17H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyMKHMLRQNGODLBV-UHFFFAOYSA-N
XLogP2.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-sulfonamide
CID 115522012
2-(ethylamino)-N-(3-ethylpentan-3-yl)pyridine-4-sulfonamide
CID 65042331
2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide
CID 102907920
N-tert-butyl-2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]acetamide
CID 115357155
2-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide
CID 64523776
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide
CID 62145050
2-(ethylamino)-N-propan-2-ylpyridine-4-sulfonamide
CID 62149834
N-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide
CID 62159155
2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]-N-propylacetamide
CID 62147526
2-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-sulfonamide
CID 106106320
2-(ethylamino)-N-[(1-methylcyclopentyl)methyl]pyridine-4-sulfonamide
CID 63830358
2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-sulfonamide
CID 62147964

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide (CID 115522007) is 2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide is CCNc1cc(S(=O)(=O)NCCCC(F)(F)F)ccn1.
What is the InChIKey of 2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide?
The InChIKey is MKHMLRQNGODLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-2-15-10-8-9(4-7-16-10)20(18,19)17-6-3-5-11(12,13)14/h4,7-8,17H,2-3,5-6H2,1H3,(H,15,16).
What are the key properties of 2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide?
2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide has a molecular weight of 311.33 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide is sourced from PubChem (CID 115522007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).