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

C11H12N2O3S — CID 705643

IUPAC4-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C11H12N2O3S/c1-8-3-5-10(6-4-8)17(14,15)13-11-7-9(2)16-12-11/h3-7H,1-2H3,(H,12,13)
InChIKeyVAPSCRDGGQHWOG-UHFFFAOYSA-N
MW252.30 g/mol
LogP2.09
Rot. Bonds3

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

4-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 705643) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID705643
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Name4-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C11H12N2O3S/c1-8-3-5-10(6-4-8)17(14,15)13-11-7-9(2)16-12-11/h3-7H,1-2H3,(H,12,13)
InChIKeyVAPSCRDGGQHWOG-UHFFFAOYSA-N
XLogP2.09
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfamethoxazole
CID 5329
Sulfamethoxazole hydroxylamine
CID 114821
Sulfatroxazole
CID 31771
4-Nitrososulfamethoxazole
CID 125483
(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
4-isobutyl-N-(5-methyl-3-isoxazolyl)benzenesulfonamide
CID 756351
5-Methyl-3-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]isoxazole
CID 2740796
N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzenesulfonamide
CID 2952234

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 705643) is 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is VAPSCRDGGQHWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-8-3-5-10(6-4-8)17(14,15)13-11-7-9(2)16-12-11/h3-7H,1-2H3,(H,12,13).
What are the key properties of 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 252.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 705643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).