2-bromo-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methylbenzenesulfonamide

C13H15BrN2O3S — CID 136518922

IUPAC2-bromo-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methylbenzenesulfonamide
SMILESCCc1onc(C)c1NS(=O)(=O)c1cc(C)ccc1Br
InChIInChI=1S/C13H15BrN2O3S/c1-4-11-13(9(3)15-19-11)16-20(17,18)12-7-8(2)5-6-10(12)14/h5-7,16H,4H2,1-3H3
InChIKeyWWPKTALUCHMBGW-UHFFFAOYSA-N
MW359.25 g/mol
LogP3.42
Rot. Bonds4

About 2-bromo-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methylbenzenesulfonamide

2-bromo-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methylbenzenesulfonamide (PubChem CID 136518922) has the molecular formula C13H15BrN2O3S and a molecular weight of 359.25 g/mol. Its IUPAC name is 2-bromo-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methylbenzenesulfonamide
PubChem CID136518922
Molecular FormulaC13H15BrN2O3S
Molecular Weight359.25 g/mol
Exact Mass358.00
IUPAC Name2-bromo-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methylbenzenesulfonamide
SMILESCCc1onc(C)c1NS(=O)(=O)c1cc(C)ccc1Br
InChIInChI=1S/C13H15BrN2O3S/c1-4-11-13(9(3)15-19-11)16-20(17,18)12-7-8(2)5-6-10(12)14/h5-7,16H,4H2,1-3H3
InChIKeyWWPKTALUCHMBGW-UHFFFAOYSA-N
XLogP3.42
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
N-(2-bromo-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935509
2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
CID 82746274
2-bromo-5-methylbenzenesulfonyl chloride
CID 15155338
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
2,5-dibromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 114389114
N-(2-bromo-5-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 82750328
5-amino-2-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 65207200
4-[(2-bromo-5-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 122068939
N-(azetidin-3-yl)-2-bromo-5-methylbenzenesulfonamide
CID 91647304
N-(5-ethyl-1,2-oxazol-3-yl)-6-methyl-1H-indole-3-sulfonamide
CID 176710987
N-(2-bromo-4-methylphenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22773985

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methylbenzenesulfonamide (CID 136518922) is 2-bromo-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methylbenzenesulfonamide is CCc1onc(C)c1NS(=O)(=O)c1cc(C)ccc1Br.
What is the InChIKey of 2-bromo-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methylbenzenesulfonamide?
The InChIKey is WWPKTALUCHMBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3S/c1-4-11-13(9(3)15-19-11)16-20(17,18)12-7-8(2)5-6-10(12)14/h5-7,16H,4H2,1-3H3.
What are the key properties of 2-bromo-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methylbenzenesulfonamide?
2-bromo-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methylbenzenesulfonamide has a molecular weight of 359.25 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 136518922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).