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

C17H15BrN2O4S — CID 15453187

IUPACN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)Nc3onc(C)c3Br)cc2)cc1
InChIInChI=1S/C17H15BrN2O4S/c1-11-16(18)17(24-19-11)20-25(21,22)15-9-5-13(6-10-15)12-3-7-14(23-2)8-4-12/h3-10,20H,1-2H3
InChIKeyFETSRRQCLSFIGK-UHFFFAOYSA-N
MW423.29 g/mol
LogP4.22
Rot. Bonds5

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

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 15453187) has the molecular formula C17H15BrN2O4S and a molecular weight of 423.29 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)benzenesulfonamide
PubChem CID15453187
Molecular FormulaC17H15BrN2O4S
Molecular Weight423.29 g/mol
Exact Mass421.99
IUPAC NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)Nc3onc(C)c3Br)cc2)cc1
InChIInChI=1S/C17H15BrN2O4S/c1-11-16(18)17(24-19-11)20-25(21,22)15-9-5-13(6-10-15)12-3-7-14(23-2)8-4-12/h3-10,20H,1-2H3
InChIKeyFETSRRQCLSFIGK-UHFFFAOYSA-N
XLogP4.22
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.29
LogP ≤ 54.22
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-(4-methoxyphenyl)-4-phenylbenzenesulfonamide
CID 174377463
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)-4-nitrobenzenesulfonamide
CID 18617344
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide
CID 110402439
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-chlorobenzenesulfonamide
CID 18617374
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-methoxyphenyl)benzenesulfonamide
CID 10713411
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 1106454
(2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 1122692
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,4-dimethoxybenzenesulfonamide
CID 19683706
4-methoxy-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzenesulfonamide
CID 122302660

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)benzenesulfonamide (CID 15453187) is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(-c2ccc(S(=O)(=O)Nc3onc(C)c3Br)cc2)cc1.
What is the InChIKey of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is FETSRRQCLSFIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O4S/c1-11-16(18)17(24-19-11)20-25(21,22)15-9-5-13(6-10-15)12-3-7-14(23-2)8-4-12/h3-10,20H,1-2H3.
What are the key properties of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)benzenesulfonamide?
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 423.29 g/mol, XLogP of 4.22, 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)-4-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 15453187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).