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

C16H14N2O3S — CID 653030

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-phenylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)no1
InChIInChI=1S/C16H14N2O3S/c1-12-11-16(17-21-12)18-22(19,20)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
InChIKeyHWPIODWIUZCWOU-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.45
Rot. Bonds4

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

N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbenzenesulfonamide (PubChem CID 653030) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-phenylbenzenesulfonamide
PubChem CID653030
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-phenylbenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)no1
InChIInChI=1S/C16H14N2O3S/c1-12-11-16(17-21-12)18-22(19,20)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
InChIKeyHWPIODWIUZCWOU-UHFFFAOYSA-N
XLogP3.45
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(5-methyl-1,2-oxazol-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 3436326
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
Desaminosulfamethoxazole
CID 747064
4-cyclohexyl-N-(5-methyl-3-isoxazolyl)benzenesulfonamide
CID 756360

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbenzenesulfonamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbenzenesulfonamide (CID 653030) is N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbenzenesulfonamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbenzenesulfonamide?
The InChIKey is HWPIODWIUZCWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-12-11-16(17-21-12)18-22(19,20)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbenzenesulfonamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbenzenesulfonamide has a molecular weight of 314.37 g/mol, XLogP of 3.45, 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-phenylbenzenesulfonamide is sourced from PubChem (CID 653030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).