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

C15H13BrN2O3S2 — CID 23445410

IUPACN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methylphenyl)thiophene-2-sulfonamide
SMILESCc1ccccc1-c1ccsc1S(=O)(=O)Nc1onc(C)c1Br
InChIInChI=1S/C15H13BrN2O3S2/c1-9-5-3-4-6-11(9)12-7-8-22-15(12)23(19,20)18-14-13(16)10(2)17-21-14/h3-8,18H,1-2H3
InChIKeyQCWFHRALODUOMA-UHFFFAOYSA-N
MW413.32 g/mol
LogP4.58
Rot. Bonds4

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

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methylphenyl)thiophene-2-sulfonamide (PubChem CID 23445410) has the molecular formula C15H13BrN2O3S2 and a molecular weight of 413.32 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methylphenyl)thiophene-2-sulfonamide
PubChem CID23445410
Molecular FormulaC15H13BrN2O3S2
Molecular Weight413.32 g/mol
Exact Mass411.96
IUPAC NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methylphenyl)thiophene-2-sulfonamide
SMILESCc1ccccc1-c1ccsc1S(=O)(=O)Nc1onc(C)c1Br
InChIInChI=1S/C15H13BrN2O3S2/c1-9-5-3-4-6-11(9)12-7-8-22-15(12)23(19,20)18-14-13(16)10(2)17-21-14/h3-8,18H,1-2H3
InChIKeyQCWFHRALODUOMA-UHFFFAOYSA-N
XLogP4.58
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 54.58
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-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-(2-phenylethenyl)thiophene-3-sulfonamide
CID 54011826
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 15453209
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
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-chlorobenzenesulfonamide
CID 18617374
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4-dimethylphenoxy)methyl]thiophene-3-sulfonamide
CID 23445379
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[2-(3-sulfamoylthiophen-2-yl)phenyl]acetamide
CID 18617292
2-benzyl-N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-1-benzothiophene-3-sulfonamide
CID 10276523
2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-3-carboxamide
CID 70059267
(3-methylphenyl) 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 23445317

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methylphenyl)thiophene-2-sulfonamide (CID 23445410) is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methylphenyl)thiophene-2-sulfonamide is Cc1ccccc1-c1ccsc1S(=O)(=O)Nc1onc(C)c1Br.
What is the InChIKey of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is QCWFHRALODUOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3S2/c1-9-5-3-4-6-11(9)12-7-8-22-15(12)23(19,20)18-14-13(16)10(2)17-21-14/h3-8,18H,1-2H3.
What are the key properties of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methylphenyl)thiophene-2-sulfonamide?
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-(2-methylphenyl)thiophene-2-sulfonamide has a molecular weight of 413.32 g/mol, XLogP of 4.58, 4 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-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 23445410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).