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

C13H16N2O3S — CID 20851638

IUPACN-(4-ethylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C13H16N2O3S/c1-4-11-5-7-12(8-6-11)15-19(16,17)13-9(2)14-18-10(13)3/h5-8,15H,4H2,1-3H3
InChIKeyANLWSXWQQNNBCU-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.65
Rot. Bonds4

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

N-(4-ethylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 20851638) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID20851638
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(4-ethylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C13H16N2O3S/c1-4-11-5-7-12(8-6-11)15-19(16,17)13-9(2)14-18-10(13)3/h5-8,15H,4H2,1-3H3
InChIKeyANLWSXWQQNNBCU-UHFFFAOYSA-N
XLogP2.65
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(4-ethylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 20851638) is N-(4-ethylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CCc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is ANLWSXWQQNNBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-4-11-5-7-12(8-6-11)15-19(16,17)13-9(2)14-18-10(13)3/h5-8,15H,4H2,1-3H3.
What are the key properties of N-(4-ethylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(4-ethylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 20851638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).