2-methoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide

C13H16N2O4S — CID 71789763

IUPAC2-methoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCCc1cc(C)no1
InChIInChI=1S/C13H16N2O4S/c1-10-9-11(19-15-10)7-8-14-20(16,17)13-6-4-3-5-12(13)18-2/h3-6,9,14H,7-8H2,1-2H3
InChIKeyHZQBCWVSUXGUDH-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.51
Rot. Bonds6

About 2-methoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide

2-methoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 71789763) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-methoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide
PubChem CID71789763
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name2-methoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCCc1cc(C)no1
InChIInChI=1S/C13H16N2O4S/c1-10-9-11(19-15-10)7-8-14-20(16,17)13-6-4-3-5-12(13)18-2/h3-6,9,14H,7-8H2,1-2H3
InChIKeyHZQBCWVSUXGUDH-UHFFFAOYSA-N
XLogP1.51
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide (CID 71789763) is 2-methoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)NCCc1cc(C)no1.
What is the InChIKey of 2-methoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is HZQBCWVSUXGUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-10-9-11(19-15-10)7-8-14-20(16,17)13-6-4-3-5-12(13)18-2/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of 2-methoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide?
2-methoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 71789763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).