2-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide

C16H17F3N2O3S — CID 175789619

IUPAC2-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide
SMILESCc1ncccc1S(=O)(=O)NCC(OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C16H17F3N2O3S/c1-12-15(8-5-9-20-12)25(22,23)21-10-14(24-11-16(17,18)19)13-6-3-2-4-7-13/h2-9,14,21H,10-11H2,1H3
InChIKeyWLKQMGDMELQXBU-UHFFFAOYSA-N
MW374.38 g/mol
LogP2.99
Rot. Bonds7

About 2-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide

2-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide (PubChem CID 175789619) has the molecular formula C16H17F3N2O3S and a molecular weight of 374.38 g/mol. Its IUPAC name is 2-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide
PubChem CID175789619
Molecular FormulaC16H17F3N2O3S
Molecular Weight374.38 g/mol
Exact Mass374.09
IUPAC Name2-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide
SMILESCc1ncccc1S(=O)(=O)NCC(OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C16H17F3N2O3S/c1-12-15(8-5-9-20-12)25(22,23)21-10-14(24-11-16(17,18)19)13-6-3-2-4-7-13/h2-9,14,21H,10-11H2,1H3
InChIKeyWLKQMGDMELQXBU-UHFFFAOYSA-N
XLogP2.99
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 2-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide (CID 175789619) is 2-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide is Cc1ncccc1S(=O)(=O)NCC(OCC(F)(F)F)c1ccccc1.
What is the InChIKey of 2-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide?
The InChIKey is WLKQMGDMELQXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3S/c1-12-15(8-5-9-20-12)25(22,23)21-10-14(24-11-16(17,18)19)13-6-3-2-4-7-13/h2-9,14,21H,10-11H2,1H3.
What are the key properties of 2-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide?
2-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide has a molecular weight of 374.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 175789619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).