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

C16H13BrN2O3S — CID 15453177

IUPACN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1Br
InChIInChI=1S/C16H13BrN2O3S/c1-11-15(17)16(22-18-11)19-23(20,21)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-10,19H,1H3
InChIKeyJNBSJLZGQLLABB-UHFFFAOYSA-N
MW393.26 g/mol
LogP4.21
Rot. Bonds4

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

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide (PubChem CID 15453177) has the molecular formula C16H13BrN2O3S and a molecular weight of 393.26 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide
PubChem CID15453177
Molecular FormulaC16H13BrN2O3S
Molecular Weight393.26 g/mol
Exact Mass391.98
IUPAC NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1Br
InChIInChI=1S/C16H13BrN2O3S/c1-11-15(17)16(22-18-11)19-23(20,21)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-10,19H,1H3
InChIKeyJNBSJLZGQLLABB-UHFFFAOYSA-N
XLogP4.21
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide (CID 15453177) is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1Br.
What is the InChIKey of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide?
The InChIKey is JNBSJLZGQLLABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3S/c1-11-15(17)16(22-18-11)19-23(20,21)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-10,19H,1H3.
What are the key properties of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide?
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide has a molecular weight of 393.26 g/mol, XLogP of 4.21, 4 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-phenylbenzenesulfonamide is sourced from PubChem (CID 15453177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).