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

C16H15BrN2O3S2 — CID 23445288

IUPACN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-ethylphenyl)thiophene-2-sulfonamide
SMILESCCc1ccc(-c2ccc(S(=O)(=O)Nc3onc(C)c3Br)s2)cc1
InChIInChI=1S/C16H15BrN2O3S2/c1-3-11-4-6-12(7-5-11)13-8-9-14(23-13)24(20,21)19-16-15(17)10(2)18-22-16/h4-9,19H,3H2,1-2H3
InChIKeyFNEYKGWJPZVVJQ-UHFFFAOYSA-N
MW427.35 g/mol
LogP4.84
Rot. Bonds5

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

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-ethylphenyl)thiophene-2-sulfonamide (PubChem CID 23445288) has the molecular formula C16H15BrN2O3S2 and a molecular weight of 427.35 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-ethylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-ethylphenyl)thiophene-2-sulfonamide
PubChem CID23445288
Molecular FormulaC16H15BrN2O3S2
Molecular Weight427.35 g/mol
Exact Mass425.97
IUPAC NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-ethylphenyl)thiophene-2-sulfonamide
SMILESCCc1ccc(-c2ccc(S(=O)(=O)Nc3onc(C)c3Br)s2)cc1
InChIInChI=1S/C16H15BrN2O3S2/c1-3-11-4-6-12(7-5-11)13-8-9-14(23-13)24(20,21)19-16-15(17)10(2)18-22-16/h4-9,19H,3H2,1-2H3
InChIKeyFNEYKGWJPZVVJQ-UHFFFAOYSA-N
XLogP4.84
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 23445238
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)-2,4,5-trichlorobenzenesulfonamide
CID 18617286
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)benzenesulfonamide
CID 15453187
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-chlorobenzenesulfonamide
CID 18617374
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)-2,4,6-trimethylbenzenesulfonamide
CID 15453209
2-benzyl-N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-1-benzothiophene-3-sulfonamide
CID 10276523
2-(4-ethylphenyl)-5-[4-[5-(4-ethylphenyl)thiophen-2-yl]phenyl]thiophene
CID 139942065
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)-4-nitrobenzenesulfonamide
CID 18617344
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-nitrobenzenesulfonamide
CID 22411376

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-ethylphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-ethylphenyl)thiophene-2-sulfonamide (CID 23445288) is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-ethylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-ethylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-ethylphenyl)thiophene-2-sulfonamide is CCc1ccc(-c2ccc(S(=O)(=O)Nc3onc(C)c3Br)s2)cc1.
What is the InChIKey of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-ethylphenyl)thiophene-2-sulfonamide?
The InChIKey is FNEYKGWJPZVVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3S2/c1-3-11-4-6-12(7-5-11)13-8-9-14(23-13)24(20,21)19-16-15(17)10(2)18-22-16/h4-9,19H,3H2,1-2H3.
What are the key properties of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-ethylphenyl)thiophene-2-sulfonamide?
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-ethylphenyl)thiophene-2-sulfonamide has a molecular weight of 427.35 g/mol, XLogP of 4.84, 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)-5-(4-ethylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 23445288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).