3,5-dimethyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-sulfonamide

C17H16N2O4S — CID 2813147

IUPAC3,5-dimethyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C17H16N2O4S/c1-12-17(13(2)23-18-12)24(20,21)19-15-10-6-7-11-16(15)22-14-8-4-3-5-9-14/h3-11,19H,1-2H3
InChIKeyJTYFXKUXQBOWBU-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.88
Rot. Bonds5

About 3,5-dimethyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-sulfonamide (PubChem CID 2813147) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-sulfonamide
PubChem CID2813147
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name3,5-dimethyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C17H16N2O4S/c1-12-17(13(2)23-18-12)24(20,21)19-15-10-6-7-11-16(15)22-14-8-4-3-5-9-14/h3-11,19H,1-2H3
InChIKeyJTYFXKUXQBOWBU-UHFFFAOYSA-N
XLogP3.88
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-sulfonamide (CID 2813147) is 3,5-dimethyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 3,5-dimethyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is JTYFXKUXQBOWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-12-17(13(2)23-18-12)24(20,21)19-15-10-6-7-11-16(15)22-14-8-4-3-5-9-14/h3-11,19H,1-2H3.
What are the key properties of 3,5-dimethyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 344.39 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 2813147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).