2-[(3,5-difluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-sulfonamide

C17H19F2N3O4S — CID 69453272

IUPAC2-[(3,5-difluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-sulfonamide
SMILESCc1cccc(NS(=O)(=O)N2CCOC(COc3cc(F)cc(F)c3)C2)n1
InChIInChI=1S/C17H19F2N3O4S/c1-12-3-2-4-17(20-12)21-27(23,24)22-5-6-25-16(10-22)11-26-15-8-13(18)7-14(19)9-15/h2-4,7-9,16H,5-6,10-11H2,1H3,(H,20,21)
InChIKeyOZVAYMYTAHVFOF-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.10
Rot. Bonds6

About 2-[(3,5-difluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-sulfonamide

2-[(3,5-difluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-sulfonamide (PubChem CID 69453272) has the molecular formula C17H19F2N3O4S and a molecular weight of 399.42 g/mol. Its IUPAC name is 2-[(3,5-difluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-sulfonamide.

Molecular Properties

Compound Name2-[(3,5-difluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-sulfonamide
PubChem CID69453272
Molecular FormulaC17H19F2N3O4S
Molecular Weight399.42 g/mol
Exact Mass399.11
IUPAC Name2-[(3,5-difluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-sulfonamide
SMILESCc1cccc(NS(=O)(=O)N2CCOC(COc3cc(F)cc(F)c3)C2)n1
InChIInChI=1S/C17H19F2N3O4S/c1-12-3-2-4-17(20-12)21-27(23,24)22-5-6-25-16(10-22)11-26-15-8-13(18)7-14(19)9-15/h2-4,7-9,16H,5-6,10-11H2,1H3,(H,20,21)
InChIKeyOZVAYMYTAHVFOF-UHFFFAOYSA-N
XLogP2.10
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-sulfonamide?
The IUPAC name of 2-[(3,5-difluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-sulfonamide (CID 69453272) is 2-[(3,5-difluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-sulfonamide.
What is the SMILES notation for 2-[(3,5-difluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-sulfonamide?
The canonical SMILES for 2-[(3,5-difluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-sulfonamide is Cc1cccc(NS(=O)(=O)N2CCOC(COc3cc(F)cc(F)c3)C2)n1.
What is the InChIKey of 2-[(3,5-difluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-sulfonamide?
The InChIKey is OZVAYMYTAHVFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O4S/c1-12-3-2-4-17(20-12)21-27(23,24)22-5-6-25-16(10-22)11-26-15-8-13(18)7-14(19)9-15/h2-4,7-9,16H,5-6,10-11H2,1H3,(H,20,21).
What are the key properties of 2-[(3,5-difluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-sulfonamide?
2-[(3,5-difluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-sulfonamide has a molecular weight of 399.42 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenoxy)methyl]-N-(6-methyl-2-pyridinyl)morpholine-4-sulfonamide is sourced from PubChem (CID 69453272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).