N-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C11H10BrFN2O3S — CID 103752882

IUPACN-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C11H10BrFN2O3S/c1-6-11(7(2)18-14-6)19(16,17)15-10-5-8(13)3-4-9(10)12/h3-5,15H,1-2H3
InChIKeyXHLLAMNVZBATIE-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.99
Rot. Bonds3

About N-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 103752882) has the molecular formula C11H10BrFN2O3S and a molecular weight of 349.18 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID103752882
Molecular FormulaC11H10BrFN2O3S
Molecular Weight349.18 g/mol
Exact Mass347.96
IUPAC NameN-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C11H10BrFN2O3S/c1-6-11(7(2)18-14-6)19(16,17)15-10-5-8(13)3-4-9(10)12/h3-5,15H,1-2H3
InChIKeyXHLLAMNVZBATIE-UHFFFAOYSA-N
XLogP2.99
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8002095
N-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5000852
N-(5-amino-2,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43550970
N-(5-bromoquinolin-8-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 35527339
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25048261
4-[(2-bromo-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 107624884
N-(2-amino-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43259158
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
2-amino-N-(2-bromo-5-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 107626860
2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 107624697
N-(2-bromo-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28939204

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 103752882) is N-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is XHLLAMNVZBATIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O3S/c1-6-11(7(2)18-14-6)19(16,17)15-10-5-8(13)3-4-9(10)12/h3-5,15H,1-2H3.
What are the key properties of N-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 349.18 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 103752882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).