N-(5-methyl-1,2-oxazol-3-yl)-4-propan-2-ylbenzenesulfonamide

C13H16N2O3S — CID 3436326

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)no1
InChIInChI=1S/C13H16N2O3S/c1-9(2)11-4-6-12(7-5-11)19(16,17)15-13-8-10(3)18-14-13/h4-9H,1-3H3,(H,14,15)
InChIKeyOZBLIFJUEIKSGG-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.91
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-4-propan-2-ylbenzenesulfonamide

N-(5-methyl-1,2-oxazol-3-yl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 3436326) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-propan-2-ylbenzenesulfonamide
PubChem CID3436326
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)no1
InChIInChI=1S/C13H16N2O3S/c1-9(2)11-4-6-12(7-5-11)19(16,17)15-13-8-10(3)18-14-13/h4-9H,1-3H3,(H,14,15)
InChIKeyOZBLIFJUEIKSGG-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfamethoxazole
CID 5329
Sulfatroxazole
CID 31771
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 705643
(5-Methylisoxazol-3-YL)((2,4,6-trimethylphenyl)sulfonyl)amine
CID 577223
4-Butyl-N-(5-methyl-3-isoxazolyl)benzenesulfonamide
CID 562945
5-(Tert-butyl)-3-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]isoxazole
CID 2813928
4''-Isobutyl-biphenyl-2-sulfonic acid (4,5-dimethyl-isoxazol-3-yl)-amide
CID 10762600
4-isobutyl-N-(5-methyl-3-isoxazolyl)benzenesulfonamide
CID 756351
5-Methyl-3-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]isoxazole
CID 2740796
2,3,5,6-tetramethyl-N-(5-methylisoxazol-3-yl)benzenesulfonamide
CID 6462653
2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 6468668
Biphenyl-4-sulfonic acid (5-methyl-isoxazol-3-yl)-amide
CID 653030

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-propan-2-ylbenzenesulfonamide (CID 3436326) is N-(5-methyl-1,2-oxazol-3-yl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-propan-2-ylbenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is OZBLIFJUEIKSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-9(2)11-4-6-12(7-5-11)19(16,17)15-13-8-10(3)18-14-13/h4-9H,1-3H3,(H,14,15).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-propan-2-ylbenzenesulfonamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 3436326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).