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

C11H11BrN2O3S — CID 18617327

IUPACN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1onc(C)c1Br
InChIInChI=1S/C11H11BrN2O3S/c1-7-5-3-4-6-9(7)18(15,16)14-11-10(12)8(2)13-17-11/h3-6,14H,1-2H3
InChIKeyDSNNFNGZIRHJEK-UHFFFAOYSA-N
MW331.19 g/mol
LogP2.85
Rot. Bonds3

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

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide (PubChem CID 18617327) has the molecular formula C11H11BrN2O3S and a molecular weight of 331.19 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
PubChem CID18617327
Molecular FormulaC11H11BrN2O3S
Molecular Weight331.19 g/mol
Exact Mass329.97
IUPAC NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1onc(C)c1Br
InChIInChI=1S/C11H11BrN2O3S/c1-7-5-3-4-6-9(7)18(15,16)14-11-10(12)8(2)13-17-11/h3-6,14H,1-2H3
InChIKeyDSNNFNGZIRHJEK-UHFFFAOYSA-N
XLogP2.85
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide (CID 18617327) is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1onc(C)c1Br.
What is the InChIKey of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide?
The InChIKey is DSNNFNGZIRHJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3S/c1-7-5-3-4-6-9(7)18(15,16)14-11-10(12)8(2)13-17-11/h3-6,14H,1-2H3.
What are the key properties of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide?
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide has a molecular weight of 331.19 g/mol, XLogP of 2.85, 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-methylbenzenesulfonamide is sourced from PubChem (CID 18617327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).