5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide

C11H16F3N3O2S — CID 115522827

IUPAC5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCCC(F)(F)F)nc1
InChIInChI=1S/C11H16F3N3O2S/c1-15-7-9-3-4-10(16-8-9)20(18,19)17-6-2-5-11(12,13)14/h3-4,8,15,17H,2,5-7H2,1H3
InChIKeyRXNDUNLTSLTKMR-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.42
Rot. Bonds7

About 5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide

5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide (PubChem CID 115522827) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide
PubChem CID115522827
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCCC(F)(F)F)nc1
InChIInChI=1S/C11H16F3N3O2S/c1-15-7-9-3-4-10(16-8-9)20(18,19)17-6-2-5-11(12,13)14/h3-4,8,15,17H,2,5-7H2,1H3
InChIKeyRXNDUNLTSLTKMR-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
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

N-(3,3-dimethylbutyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106085622
5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide
CID 106077591
5-(methylaminomethyl)-N-[2-(3-methylbutoxy)ethyl]pyridine-2-sulfonamide
CID 106018652
N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106086804
N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106027073
N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106079204
N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106069732
2-fluoro-4-(methylaminomethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 79190551
5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide
CID 106089544
N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106050829
5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide
CID 106066192
N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106058846

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide (CID 115522827) is 5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide is CNCc1ccc(S(=O)(=O)NCCCC(F)(F)F)nc1.
What is the InChIKey of 5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide?
The InChIKey is RXNDUNLTSLTKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-15-7-9-3-4-10(16-8-9)20(18,19)17-6-2-5-11(12,13)14/h3-4,8,15,17H,2,5-7H2,1H3.
What are the key properties of 5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide?
5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide has a molecular weight of 311.33 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide is sourced from PubChem (CID 115522827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).