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

C18H18N2O3S — CID 53054425

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(-c3c(C)noc3C)cc2)c1
InChIInChI=1S/C18H18N2O3S/c1-12-5-4-6-16(11-12)20-24(21,22)17-9-7-15(8-10-17)18-13(2)19-23-14(18)3/h4-11,20H,1-3H3
InChIKeyGBPIJMGFERFLAZ-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.07
Rot. Bonds4

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

4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 53054425) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide
PubChem CID53054425
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(-c3c(C)noc3C)cc2)c1
InChIInChI=1S/C18H18N2O3S/c1-12-5-4-6-16(11-12)20-24(21,22)17-9-7-15(8-10-17)18-13(2)19-23-14(18)3/h4-11,20H,1-3H3
InChIKeyGBPIJMGFERFLAZ-UHFFFAOYSA-N
XLogP4.07
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 53054335
N-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 53054412
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide
CID 165343462
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 53054416
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 53054290
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide
CID 143959278
4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112985985
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 53054383

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide (CID 53054425) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(-c3c(C)noc3C)cc2)c1.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is GBPIJMGFERFLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-5-4-6-16(11-12)20-24(21,22)17-9-7-15(8-10-17)18-13(2)19-23-14(18)3/h4-11,20H,1-3H3.
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide?
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 53054425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).