5-ethyl-2-methoxy-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)benzenesulfonamide

C17H17N3O4S — CID 150702415

IUPAC5-ethyl-2-methoxy-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)Nc2cc(-c3ccncc3)no2)c1
InChIInChI=1S/C17H17N3O4S/c1-3-12-4-5-15(23-2)16(10-12)25(21,22)20-17-11-14(19-24-17)13-6-8-18-9-7-13/h4-11,20H,3H2,1-2H3
InChIKeyJMDVIOUASMUJJH-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.11
Rot. Bonds6

About 5-ethyl-2-methoxy-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)benzenesulfonamide

5-ethyl-2-methoxy-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 150702415) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-ethyl-2-methoxy-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID150702415
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name5-ethyl-2-methoxy-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)Nc2cc(-c3ccncc3)no2)c1
InChIInChI=1S/C17H17N3O4S/c1-3-12-4-5-15(23-2)16(10-12)25(21,22)20-17-11-14(19-24-17)13-6-8-18-9-7-13/h4-11,20H,3H2,1-2H3
InChIKeyJMDVIOUASMUJJH-UHFFFAOYSA-N
XLogP3.11
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 5-ethyl-2-methoxy-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)benzenesulfonamide (CID 150702415) is 5-ethyl-2-methoxy-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-ethyl-2-methoxy-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 5-ethyl-2-methoxy-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)benzenesulfonamide is CCc1ccc(OC)c(S(=O)(=O)Nc2cc(-c3ccncc3)no2)c1.
What is the InChIKey of 5-ethyl-2-methoxy-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is JMDVIOUASMUJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-3-12-4-5-15(23-2)16(10-12)25(21,22)20-17-11-14(19-24-17)13-6-8-18-9-7-13/h4-11,20H,3H2,1-2H3.
What are the key properties of 5-ethyl-2-methoxy-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)benzenesulfonamide?
5-ethyl-2-methoxy-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 359.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxy-N-(3-pyridin-4-yl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 150702415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).