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

C23H19BrN2O4S — CID 174377463

IUPACN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-4-phenylbenzenesulfonamide
SMILESCOc1ccc(-c2cc(-c3ccccc3)ccc2S(=O)(=O)Nc2onc(C)c2Br)cc1
InChIInChI=1S/C23H19BrN2O4S/c1-15-22(24)23(30-25-15)26-31(27,28)21-13-10-18(16-6-4-3-5-7-16)14-20(21)17-8-11-19(29-2)12-9-17/h3-14,26H,1-2H3
InChIKeyRLZWSBNDBGHWIE-UHFFFAOYSA-N
MW499.39 g/mol
LogP5.89
Rot. Bonds6

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

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-4-phenylbenzenesulfonamide (PubChem CID 174377463) has the molecular formula C23H19BrN2O4S and a molecular weight of 499.39 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-4-phenylbenzenesulfonamide
PubChem CID174377463
Molecular FormulaC23H19BrN2O4S
Molecular Weight499.39 g/mol
Exact Mass498.02
IUPAC NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-4-phenylbenzenesulfonamide
SMILESCOc1ccc(-c2cc(-c3ccccc3)ccc2S(=O)(=O)Nc2onc(C)c2Br)cc1
InChIInChI=1S/C23H19BrN2O4S/c1-15-22(24)23(30-25-15)26-31(27,28)21-13-10-18(16-6-4-3-5-7-16)14-20(21)17-8-11-19(29-2)12-9-17/h3-14,26H,1-2H3
InChIKeyRLZWSBNDBGHWIE-UHFFFAOYSA-N
XLogP5.89
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.39
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)benzenesulfonamide
CID 15453187
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)benzenesulfonamide
CID 10713411
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 23445238
5-(4,6-dimethoxypyrimidin-2-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylbenzenesulfonamide
CID 67669197
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)-N-phenylbenzenesulfonamide
CID 141224668
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylphenyl)benzenesulfonamide
CID 10521258
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)-2,4,5-trichlorobenzenesulfonamide
CID 18617286
4-(1,3-benzodioxol-5-yl)-N-(4-bromo-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 162219744
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-2-methylbenzenesulfonamide
CID 10714421
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(2-phenylethenyl)thiophene-3-sulfonamide
CID 54011826

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-4-phenylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-4-phenylbenzenesulfonamide (CID 174377463) is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-4-phenylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-4-phenylbenzenesulfonamide is COc1ccc(-c2cc(-c3ccccc3)ccc2S(=O)(=O)Nc2onc(C)c2Br)cc1.
What is the InChIKey of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-4-phenylbenzenesulfonamide?
The InChIKey is RLZWSBNDBGHWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O4S/c1-15-22(24)23(30-25-15)26-31(27,28)21-13-10-18(16-6-4-3-5-7-16)14-20(21)17-8-11-19(29-2)12-9-17/h3-14,26H,1-2H3.
What are the key properties of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-4-phenylbenzenesulfonamide?
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-4-phenylbenzenesulfonamide has a molecular weight of 499.39 g/mol, XLogP of 5.89, 6 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-(4-methoxyphenyl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 174377463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).