2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide

C17H17N3O4S — CID 20935029

IUPAC2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(C)cn1
InChIInChI=1S/C17H17N3O4S/c1-11-4-7-17(18-10-11)20-25(21,22)16-9-13(5-6-14(16)23-3)15-8-12(2)19-24-15/h4-10H,1-3H3,(H,18,20)
InChIKeyMPRHFHVKPMRZDF-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.16
Rot. Bonds5

About 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide

2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 20935029) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID20935029
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(C)cn1
InChIInChI=1S/C17H17N3O4S/c1-11-4-7-17(18-10-11)20-25(21,22)16-9-13(5-6-14(16)23-3)15-8-12(2)19-24-15/h4-10H,1-3H3,(H,18,20)
InChIKeyMPRHFHVKPMRZDF-UHFFFAOYSA-N
XLogP3.16
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide (CID 20935029) is 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide is COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(C)cn1.
What is the InChIKey of 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is MPRHFHVKPMRZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-11-4-7-17(18-10-11)20-25(21,22)16-9-13(5-6-14(16)23-3)15-8-12(2)19-24-15/h4-10H,1-3H3,(H,18,20).
What are the key properties of 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 359.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 20935029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).