N-(4-methyl-1,2-oxazol-3-yl)-2-phenylpropane-1-sulfonamide

C13H16N2O3S — CID 75522421

IUPACN-(4-methyl-1,2-oxazol-3-yl)-2-phenylpropane-1-sulfonamide
SMILESCc1conc1NS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C13H16N2O3S/c1-10-8-18-14-13(10)15-19(16,17)9-11(2)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,14,15)
InChIKeyRZDILUXSEMBHOA-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.53
Rot. Bonds5

About N-(4-methyl-1,2-oxazol-3-yl)-2-phenylpropane-1-sulfonamide

N-(4-methyl-1,2-oxazol-3-yl)-2-phenylpropane-1-sulfonamide (PubChem CID 75522421) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(4-methyl-1,2-oxazol-3-yl)-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-methyl-1,2-oxazol-3-yl)-2-phenylpropane-1-sulfonamide
PubChem CID75522421
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(4-methyl-1,2-oxazol-3-yl)-2-phenylpropane-1-sulfonamide
SMILESCc1conc1NS(=O)(=O)CC(C)c1ccccc1
InChIInChI=1S/C13H16N2O3S/c1-10-8-18-14-13(10)15-19(16,17)9-11(2)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,14,15)
InChIKeyRZDILUXSEMBHOA-UHFFFAOYSA-N
XLogP2.53
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,2-oxazol-3-yl)-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(4-methyl-1,2-oxazol-3-yl)-2-phenylpropane-1-sulfonamide (CID 75522421) is N-(4-methyl-1,2-oxazol-3-yl)-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(4-methyl-1,2-oxazol-3-yl)-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(4-methyl-1,2-oxazol-3-yl)-2-phenylpropane-1-sulfonamide is Cc1conc1NS(=O)(=O)CC(C)c1ccccc1.
What is the InChIKey of N-(4-methyl-1,2-oxazol-3-yl)-2-phenylpropane-1-sulfonamide?
The InChIKey is RZDILUXSEMBHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-10-8-18-14-13(10)15-19(16,17)9-11(2)12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,14,15).
What are the key properties of N-(4-methyl-1,2-oxazol-3-yl)-2-phenylpropane-1-sulfonamide?
N-(4-methyl-1,2-oxazol-3-yl)-2-phenylpropane-1-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,2-oxazol-3-yl)-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 75522421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).