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

C17H15BrN2O3S — CID 22583105

IUPACN-(2-bromo-4-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c(Br)c1
InChIInChI=1S/C17H15BrN2O3S/c1-11-3-8-16(15(18)9-11)20-24(21,22)14-6-4-13(5-7-14)17-10-23-12(2)19-17/h3-10,20H,1-2H3
InChIKeyPJRMIUIWJGYCPW-UHFFFAOYSA-N
MW407.29 g/mol
LogP4.52
Rot. Bonds4

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

N-(2-bromo-4-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (PubChem CID 22583105) has the molecular formula C17H15BrN2O3S and a molecular weight of 407.29 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
PubChem CID22583105
Molecular FormulaC17H15BrN2O3S
Molecular Weight407.29 g/mol
Exact Mass406.00
IUPAC NameN-(2-bromo-4-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c(Br)c1
InChIInChI=1S/C17H15BrN2O3S/c1-11-3-8-16(15(18)9-11)20-24(21,22)14-6-4-13(5-7-14)17-10-23-12(2)19-17/h3-10,20H,1-2H3
InChIKeyPJRMIUIWJGYCPW-UHFFFAOYSA-N
XLogP4.52
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583093
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073
N-(2-bromo-4-iodophenyl)-4-methylbenzenesulfonamide
CID 114259559
N-(5-chloro-2,4-dimethoxyphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583055
N-(3,4-difluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583135
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-[2-(dimethylamino)pyrimidin-5-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122298122
N-(2-bromo-4-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 26979452
N-(3-chloro-4-methoxyphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583132
N-[2-bromo-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 68679977
3-amino-N-(2-bromo-4-methylphenyl)-5-methylbenzenesulfonamide
CID 43256314
4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726555

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (CID 22583105) is N-(2-bromo-4-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The InChIKey is PJRMIUIWJGYCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3S/c1-11-3-8-16(15(18)9-11)20-24(21,22)14-6-4-13(5-7-14)17-10-23-12(2)19-17/h3-10,20H,1-2H3.
What are the key properties of N-(2-bromo-4-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
N-(2-bromo-4-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide has a molecular weight of 407.29 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 22583105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).