N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-phenylethenyl)thiophene-2-sulfonamide

C16H13BrN2O3S2 — CID 54375767

IUPACN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-phenylethenyl)thiophene-2-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2sccc2C=Cc2ccccc2)c1Br
InChIInChI=1S/C16H13BrN2O3S2/c1-11-14(17)15(22-18-11)19-24(20,21)16-13(9-10-23-16)8-7-12-5-3-2-4-6-12/h2-10,19H,1H3
InChIKeyUWJULWDYEIIDJS-UHFFFAOYSA-N
MW425.33 g/mol
LogP4.78
Rot. Bonds5

About N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-phenylethenyl)thiophene-2-sulfonamide

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-phenylethenyl)thiophene-2-sulfonamide (PubChem CID 54375767) has the molecular formula C16H13BrN2O3S2 and a molecular weight of 425.33 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-phenylethenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-phenylethenyl)thiophene-2-sulfonamide
PubChem CID54375767
Molecular FormulaC16H13BrN2O3S2
Molecular Weight425.33 g/mol
Exact Mass423.96
IUPAC NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-phenylethenyl)thiophene-2-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2sccc2C=Cc2ccccc2)c1Br
InChIInChI=1S/C16H13BrN2O3S2/c1-11-14(17)15(22-18-11)19-24(20,21)16-13(9-10-23-16)8-7-12-5-3-2-4-6-12/h2-10,19H,1H3
InChIKeyUWJULWDYEIIDJS-UHFFFAOYSA-N
XLogP4.78
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.33
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-phenylethenyl)thiophene-2-sulfonamide 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)-3-(2-phenylethenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-phenylethenyl)thiophene-2-sulfonamide (CID 54375767) is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-phenylethenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-phenylethenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-phenylethenyl)thiophene-2-sulfonamide is Cc1noc(NS(=O)(=O)c2sccc2C=Cc2ccccc2)c1Br.
What is the InChIKey of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-phenylethenyl)thiophene-2-sulfonamide?
The InChIKey is UWJULWDYEIIDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3S2/c1-11-14(17)15(22-18-11)19-24(20,21)16-13(9-10-23-16)8-7-12-5-3-2-4-6-12/h2-10,19H,1H3.
What are the key properties of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-phenylethenyl)thiophene-2-sulfonamide?
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-phenylethenyl)thiophene-2-sulfonamide has a molecular weight of 425.33 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-phenylethenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 54375767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).