N-ethyl-6-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-2-sulfonamide

C16H16F4N2O2S — CID 168898607

IUPACN-ethyl-6-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-2-sulfonamide
SMILESCCN([C@H](c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1cccc(C)n1
InChIInChI=1S/C16H16F4N2O2S/c1-3-22(25(23,24)14-6-4-5-11(2)21-14)15(16(18,19)20)12-7-9-13(17)10-8-12/h4-10,15H,3H2,1-2H3/t15-/m1/s1
InChIKeyRXWLWBKESUKOAI-OAHLLOKOSA-N
MW376.38 g/mol
LogP3.84
Rot. Bonds5

About N-ethyl-6-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-2-sulfonamide

N-ethyl-6-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-2-sulfonamide (PubChem CID 168898607) has the molecular formula C16H16F4N2O2S and a molecular weight of 376.38 g/mol. Its IUPAC name is N-ethyl-6-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-2-sulfonamide
PubChem CID168898607
Molecular FormulaC16H16F4N2O2S
Molecular Weight376.38 g/mol
Exact Mass376.09
IUPAC NameN-ethyl-6-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-2-sulfonamide
SMILESCCN([C@H](c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1cccc(C)n1
InChIInChI=1S/C16H16F4N2O2S/c1-3-22(25(23,24)14-6-4-5-11(2)21-14)15(16(18,19)20)12-7-9-13(17)10-8-12/h4-10,15H,3H2,1-2H3/t15-/m1/s1
InChIKeyRXWLWBKESUKOAI-OAHLLOKOSA-N
XLogP3.84
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-2-sulfonamide?
The IUPAC name of N-ethyl-6-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-2-sulfonamide (CID 168898607) is N-ethyl-6-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-ethyl-6-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-2-sulfonamide?
The canonical SMILES for N-ethyl-6-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-2-sulfonamide is CCN([C@H](c1ccc(F)cc1)C(F)(F)F)S(=O)(=O)c1cccc(C)n1.
What is the InChIKey of N-ethyl-6-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-2-sulfonamide?
The InChIKey is RXWLWBKESUKOAI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16F4N2O2S/c1-3-22(25(23,24)14-6-4-5-11(2)21-14)15(16(18,19)20)12-7-9-13(17)10-8-12/h4-10,15H,3H2,1-2H3/t15-/m1/s1.
What are the key properties of N-ethyl-6-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-2-sulfonamide?
N-ethyl-6-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-2-sulfonamide has a molecular weight of 376.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyridine-2-sulfonamide is sourced from PubChem (CID 168898607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).