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

C14H18N2O3S — CID 756351

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(CC(C)C)cc2)no1
InChIInChI=1S/C14H18N2O3S/c1-10(2)8-12-4-6-13(7-5-12)20(17,18)16-14-9-11(3)19-15-14/h4-7,9-10H,8H2,1-3H3,(H,15,16)
InChIKeyBOKJJZLHSAFQLF-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.98
Rot. Bonds5

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

N-(5-methyl-1,2-oxazol-3-yl)-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 756351) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-(2-methylpropyl)benzenesulfonamide
PubChem CID756351
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(CC(C)C)cc2)no1
InChIInChI=1S/C14H18N2O3S/c1-10(2)8-12-4-6-13(7-5-12)20(17,18)16-14-9-11(3)19-15-14/h4-7,9-10H,8H2,1-3H3,(H,15,16)
InChIKeyBOKJJZLHSAFQLF-UHFFFAOYSA-N
XLogP2.98
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfamethoxazole
CID 5329
Sulfatroxazole
CID 31771
4-Nitrososulfamethoxazole
CID 125483
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
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
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

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-(2-methylpropyl)benzenesulfonamide (CID 756351) is N-(5-methyl-1,2-oxazol-3-yl)-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-(2-methylpropyl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(CC(C)C)cc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is BOKJJZLHSAFQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10(2)8-12-4-6-13(7-5-12)20(17,18)16-14-9-11(3)19-15-14/h4-7,9-10H,8H2,1-3H3,(H,15,16).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-(2-methylpropyl)benzenesulfonamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.98, 5 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-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 756351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).