2-methoxy-5-methyl-N-[4-(2,2,2-trifluoroethyl)oxan-4-yl]pyridine-3-sulfonamide

C14H19F3N2O4S — CID 167869432

IUPAC2-methoxy-5-methyl-N-[4-(2,2,2-trifluoroethyl)oxan-4-yl]pyridine-3-sulfonamide
SMILESCOc1ncc(C)cc1S(=O)(=O)NC1(CC(F)(F)F)CCOCC1
InChIInChI=1S/C14H19F3N2O4S/c1-10-7-11(12(22-2)18-8-10)24(20,21)19-13(9-14(15,16)17)3-5-23-6-4-13/h7-8,19H,3-6,9H2,1-2H3
InChIKeyQWNWQEXXFKXSFO-UHFFFAOYSA-N
MW368.38 g/mol
LogP2.18
Rot. Bonds5

About 2-methoxy-5-methyl-N-[4-(2,2,2-trifluoroethyl)oxan-4-yl]pyridine-3-sulfonamide

2-methoxy-5-methyl-N-[4-(2,2,2-trifluoroethyl)oxan-4-yl]pyridine-3-sulfonamide (PubChem CID 167869432) has the molecular formula C14H19F3N2O4S and a molecular weight of 368.38 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[4-(2,2,2-trifluoroethyl)oxan-4-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[4-(2,2,2-trifluoroethyl)oxan-4-yl]pyridine-3-sulfonamide
PubChem CID167869432
Molecular FormulaC14H19F3N2O4S
Molecular Weight368.38 g/mol
Exact Mass368.10
IUPAC Name2-methoxy-5-methyl-N-[4-(2,2,2-trifluoroethyl)oxan-4-yl]pyridine-3-sulfonamide
SMILESCOc1ncc(C)cc1S(=O)(=O)NC1(CC(F)(F)F)CCOCC1
InChIInChI=1S/C14H19F3N2O4S/c1-10-7-11(12(22-2)18-8-10)24(20,21)19-13(9-14(15,16)17)3-5-23-6-4-13/h7-8,19H,3-6,9H2,1-2H3
InChIKeyQWNWQEXXFKXSFO-UHFFFAOYSA-N
XLogP2.18
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[4-(2,2,2-trifluoroethyl)oxan-4-yl]pyridine-3-sulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[4-(2,2,2-trifluoroethyl)oxan-4-yl]pyridine-3-sulfonamide (CID 167869432) is 2-methoxy-5-methyl-N-[4-(2,2,2-trifluoroethyl)oxan-4-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[4-(2,2,2-trifluoroethyl)oxan-4-yl]pyridine-3-sulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[4-(2,2,2-trifluoroethyl)oxan-4-yl]pyridine-3-sulfonamide is COc1ncc(C)cc1S(=O)(=O)NC1(CC(F)(F)F)CCOCC1.
What is the InChIKey of 2-methoxy-5-methyl-N-[4-(2,2,2-trifluoroethyl)oxan-4-yl]pyridine-3-sulfonamide?
The InChIKey is QWNWQEXXFKXSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O4S/c1-10-7-11(12(22-2)18-8-10)24(20,21)19-13(9-14(15,16)17)3-5-23-6-4-13/h7-8,19H,3-6,9H2,1-2H3.
What are the key properties of 2-methoxy-5-methyl-N-[4-(2,2,2-trifluoroethyl)oxan-4-yl]pyridine-3-sulfonamide?
2-methoxy-5-methyl-N-[4-(2,2,2-trifluoroethyl)oxan-4-yl]pyridine-3-sulfonamide has a molecular weight of 368.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[4-(2,2,2-trifluoroethyl)oxan-4-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 167869432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).