5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide

C17H19N3O4S — CID 156600271

IUPAC5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide
SMILESCOc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1ccnc(C)c1
InChIInChI=1S/C17H19N3O4S/c1-12-9-15(3-6-18-12)20-25(21,22)16-10-14(11-19-17(16)23-2)13-4-7-24-8-5-13/h3-4,6,9-11H,5,7-8H2,1-2H3,(H,18,20)
InChIKeyMQQOMKBMLHBDFG-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.40
Rot. Bonds5

About 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide

5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide (PubChem CID 156600271) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide
PubChem CID156600271
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide
SMILESCOc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1ccnc(C)c1
InChIInChI=1S/C17H19N3O4S/c1-12-9-15(3-6-18-12)20-25(21,22)16-10-14(11-19-17(16)23-2)13-4-7-24-8-5-13/h3-4,6,9-11H,5,7-8H2,1-2H3,(H,18,20)
InChIKeyMQQOMKBMLHBDFG-UHFFFAOYSA-N
XLogP2.40
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide?
The IUPAC name of 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide (CID 156600271) is 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide is COc1ncc(C2=CCOCC2)cc1S(=O)(=O)Nc1ccnc(C)c1.
What is the InChIKey of 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide?
The InChIKey is MQQOMKBMLHBDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-12-9-15(3-6-18-12)20-25(21,22)16-10-14(11-19-17(16)23-2)13-4-7-24-8-5-13/h3-4,6,9-11H,5,7-8H2,1-2H3,(H,18,20).
What are the key properties of 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide?
5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide has a molecular weight of 361.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide is sourced from PubChem (CID 156600271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).