N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzenesulfonamide

C13H15BrN2O3S — CID 15453209

IUPACN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2onc(C)c2Br)c(C)c1
InChIInChI=1S/C13H15BrN2O3S/c1-7-5-8(2)12(9(3)6-7)20(17,18)16-13-11(14)10(4)15-19-13/h5-6,16H,1-4H3
InChIKeyITWYSOIYYHELQO-UHFFFAOYSA-N
MW359.25 g/mol
LogP3.47
Rot. Bonds3

About N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzenesulfonamide

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 15453209) has the molecular formula C13H15BrN2O3S and a molecular weight of 359.25 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID15453209
Molecular FormulaC13H15BrN2O3S
Molecular Weight359.25 g/mol
Exact Mass358.00
IUPAC NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2onc(C)c2Br)c(C)c1
InChIInChI=1S/C13H15BrN2O3S/c1-7-5-8(2)12(9(3)6-7)20(17,18)16-13-11(14)10(4)15-19-13/h5-6,16H,1-4H3
InChIKeyITWYSOIYYHELQO-UHFFFAOYSA-N
XLogP3.47
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-2-methylbenzenesulfonamide
CID 10714421
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,5-trichlorobenzenesulfonamide
CID 18617286
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-chlorobenzenesulfonamide
CID 18617374
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-nitrobenzenesulfonamide
CID 22411376
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide
CID 18617376
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide
CID 18617344
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4-dimethylphenoxy)methyl]thiophene-3-sulfonamide
CID 23445379
2-benzyl-N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-1-benzothiophene-3-sulfonamide
CID 10276523
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)benzenesulfonamide
CID 15453187
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methylphenyl)thiophene-2-sulfonamide
CID 23445410
4-(1,3-benzodioxol-5-yl)-N-(4-bromo-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 162219744
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzenesulfonamide (CID 15453209) is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2onc(C)c2Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is ITWYSOIYYHELQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3S/c1-7-5-8(2)12(9(3)6-7)20(17,18)16-13-11(14)10(4)15-19-13/h5-6,16H,1-4H3.
What are the key properties of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzenesulfonamide?
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 359.25 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 15453209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).