3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide

C13H17N3O5S2 — CID 3241534

IUPAC3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H17N3O5S2/c1-9-13(10(2)21-16-9)23(19,20)15-8-7-11-3-5-12(6-4-11)22(14,17)18/h3-6,15H,7-8H2,1-2H3,(H2,14,17,18)
InChIKeyDJEAOOCVJXJGRE-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.46
Rot. Bonds6

About 3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 3241534) has the molecular formula C13H17N3O5S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
PubChem CID3241534
Molecular FormulaC13H17N3O5S2
Molecular Weight359.43 g/mol
Exact Mass359.06
IUPAC Name3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H17N3O5S2/c1-9-13(10(2)21-16-9)23(19,20)15-8-7-11-3-5-12(6-4-11)22(14,17)18/h3-6,15H,7-8H2,1-2H3,(H2,14,17,18)
InChIKeyDJEAOOCVJXJGRE-UHFFFAOYSA-N
XLogP0.46
TPSA132.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide (CID 3241534) is 3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is DJEAOOCVJXJGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5S2/c1-9-13(10(2)21-16-9)23(19,20)15-8-7-11-3-5-12(6-4-11)22(14,17)18/h3-6,15H,7-8H2,1-2H3,(H2,14,17,18).
What are the key properties of 3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 359.43 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 3241534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).