6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-sulfonamide

C11H16F3N3O2S — CID 115522012

IUPAC6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCCCC(F)(F)F)cn1
InChIInChI=1S/C11H16F3N3O2S/c1-2-15-10-5-4-9(8-16-10)20(18,19)17-7-3-6-11(12,13)14/h4-5,8,17H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyGCADDEBHMAYQCB-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.13
Rot. Bonds7

About 6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-sulfonamide

6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-sulfonamide (PubChem CID 115522012) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-sulfonamide
PubChem CID115522012
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCCCC(F)(F)F)cn1
InChIInChI=1S/C11H16F3N3O2S/c1-2-15-10-5-4-9(8-16-10)20(18,19)17-7-3-6-11(12,13)14/h4-5,8,17H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyGCADDEBHMAYQCB-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

2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide
CID 115522007
6-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62148459
N-(2-ethoxyethyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62164881
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
N-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 103464350
6-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 62640395
6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 106432842
4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 138979627
4-(4,4,4-trifluorobutylsulfamoyl)benzenesulfonyl fluoride
CID 114958441
6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64524954
6-(ethylamino)-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62144358
6-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106407903

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-sulfonamide?
The IUPAC name of 6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-sulfonamide (CID 115522012) is 6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-sulfonamide is CCNc1ccc(S(=O)(=O)NCCCC(F)(F)F)cn1.
What is the InChIKey of 6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-sulfonamide?
The InChIKey is GCADDEBHMAYQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-2-15-10-5-4-9(8-16-10)20(18,19)17-7-3-6-11(12,13)14/h4-5,8,17H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of 6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-sulfonamide?
6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-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 6-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115522012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).