N-(3,5-dimethylphenyl)-3-phenyl-1,2-oxazole-5-sulfonamide

C17H16N2O3S — CID 166328788

IUPACN-(3,5-dimethylphenyl)-3-phenyl-1,2-oxazole-5-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc(-c3ccccc3)no2)c1
InChIInChI=1S/C17H16N2O3S/c1-12-8-13(2)10-15(9-12)19-23(20,21)17-11-16(18-22-17)14-6-4-3-5-7-14/h3-11,19H,1-2H3
InChIKeyLPHXOSPFYFLOHC-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.76
Rot. Bonds4

About N-(3,5-dimethylphenyl)-3-phenyl-1,2-oxazole-5-sulfonamide

N-(3,5-dimethylphenyl)-3-phenyl-1,2-oxazole-5-sulfonamide (PubChem CID 166328788) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-phenyl-1,2-oxazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-phenyl-1,2-oxazole-5-sulfonamide
PubChem CID166328788
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(3,5-dimethylphenyl)-3-phenyl-1,2-oxazole-5-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc(-c3ccccc3)no2)c1
InChIInChI=1S/C17H16N2O3S/c1-12-8-13(2)10-15(9-12)19-23(20,21)17-11-16(18-22-17)14-6-4-3-5-7-14/h3-11,19H,1-2H3
InChIKeyLPHXOSPFYFLOHC-UHFFFAOYSA-N
XLogP3.76
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-phenyl-1,2-oxazole-5-sulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-phenyl-1,2-oxazole-5-sulfonamide (CID 166328788) is N-(3,5-dimethylphenyl)-3-phenyl-1,2-oxazole-5-sulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-phenyl-1,2-oxazole-5-sulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-phenyl-1,2-oxazole-5-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2cc(-c3ccccc3)no2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-phenyl-1,2-oxazole-5-sulfonamide?
The InChIKey is LPHXOSPFYFLOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-12-8-13(2)10-15(9-12)19-23(20,21)17-11-16(18-22-17)14-6-4-3-5-7-14/h3-11,19H,1-2H3.
What are the key properties of N-(3,5-dimethylphenyl)-3-phenyl-1,2-oxazole-5-sulfonamide?
N-(3,5-dimethylphenyl)-3-phenyl-1,2-oxazole-5-sulfonamide has a molecular weight of 328.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-phenyl-1,2-oxazole-5-sulfonamide is sourced from PubChem (CID 166328788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).