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

C16H13BrN2O3S2 — CID 54011826

IUPACN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(2-phenylethenyl)thiophene-3-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccsc2C=Cc2ccccc2)c1Br
InChIInChI=1S/C16H13BrN2O3S2/c1-11-15(17)16(22-18-11)19-24(20,21)14-9-10-23-13(14)8-7-12-5-3-2-4-6-12/h2-10,19H,1H3
InChIKeyKSXDWAQKJKRPBF-UHFFFAOYSA-N
MW425.33 g/mol
LogP4.78
Rot. Bonds5

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

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(2-phenylethenyl)thiophene-3-sulfonamide (PubChem CID 54011826) 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)-2-(2-phenylethenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(2-phenylethenyl)thiophene-3-sulfonamide
PubChem CID54011826
Molecular FormulaC16H13BrN2O3S2
Molecular Weight425.33 g/mol
Exact Mass423.96
IUPAC NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(2-phenylethenyl)thiophene-3-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccsc2C=Cc2ccccc2)c1Br
InChIInChI=1S/C16H13BrN2O3S2/c1-11-15(17)16(22-18-11)19-24(20,21)14-9-10-23-13(14)8-7-12-5-3-2-4-6-12/h2-10,19H,1H3
InChIKeyKSXDWAQKJKRPBF-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

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Related Compounds

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-phenylethenyl)thiophene-2-sulfonamide
CID 54375767
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-formylthiophene-3-sulfonamide
CID 86691256
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methylphenyl)thiophene-2-sulfonamide
CID 23445410
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-thiophen-2-ylfuran-2-sulfonamide
CID 174364946
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide
CID 18617376
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-nitrobenzenesulfonamide
CID 22411376
3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-propan-2-ylphenyl)thiophene-2-carboxamide
CID 10672494
(3-methylphenyl) 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 23445317
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(imidazole-1-carbonyl)thiophene-3-sulfonamide
CID 10788100
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4-dimethylphenoxy)methyl]thiophene-3-sulfonamide
CID 23445379
3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4-butylphenyl)thiophene-2-carboxamide
CID 10577255
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,5-trichlorobenzenesulfonamide
CID 18617286

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(2-phenylethenyl)thiophene-3-sulfonamide?
The IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(2-phenylethenyl)thiophene-3-sulfonamide (CID 54011826) is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(2-phenylethenyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(2-phenylethenyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(2-phenylethenyl)thiophene-3-sulfonamide is Cc1noc(NS(=O)(=O)c2ccsc2C=Cc2ccccc2)c1Br.
What is the InChIKey of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(2-phenylethenyl)thiophene-3-sulfonamide?
The InChIKey is KSXDWAQKJKRPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3S2/c1-11-15(17)16(22-18-11)19-24(20,21)14-9-10-23-13(14)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)-2-(2-phenylethenyl)thiophene-3-sulfonamide?
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(2-phenylethenyl)thiophene-3-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)-2-(2-phenylethenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 54011826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).