methyl 5-bromo-2-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]benzoate

C18H15BrN2O5S — CID 25334935

IUPACmethyl 5-bromo-2-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1ccc(-c2cnc(C)o2)cc1
InChIInChI=1S/C18H15BrN2O5S/c1-11-20-10-16(26-11)12-3-6-14(7-4-12)21-27(23,24)17-8-5-13(19)9-15(17)18(22)25-2/h3-10,21H,1-2H3
InChIKeyWNZMKFVWHFPOJF-UHFFFAOYSA-N
MW451.30 g/mol
LogP4.00
Rot. Bonds5

About methyl 5-bromo-2-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]benzoate

methyl 5-bromo-2-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]benzoate (PubChem CID 25334935) has the molecular formula C18H15BrN2O5S and a molecular weight of 451.30 g/mol. Its IUPAC name is methyl 5-bromo-2-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 5-bromo-2-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]benzoate
PubChem CID25334935
Molecular FormulaC18H15BrN2O5S
Molecular Weight451.30 g/mol
Exact Mass449.99
IUPAC Namemethyl 5-bromo-2-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1ccc(-c2cnc(C)o2)cc1
InChIInChI=1S/C18H15BrN2O5S/c1-11-20-10-16(26-11)12-3-6-14(7-4-12)21-27(23,24)17-8-5-13(19)9-15(17)18(22)25-2/h3-10,21H,1-2H3
InChIKeyWNZMKFVWHFPOJF-UHFFFAOYSA-N
XLogP4.00
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.30
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-bromo-2-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]benzoate with MolForge

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Related Compounds

methyl 5-bromo-2-[(4-ethoxyphenyl)sulfamoyl]benzoate
CID 55353268
methyl 5-bromo-2-[[4-(difluoromethylsulfanyl)phenyl]sulfamoyl]benzoate
CID 55353218
methyl 5-bromo-2-[(2-propan-2-ylphenyl)sulfamoyl]benzoate
CID 51557833
methyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate
CID 55353794
2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide
CID 20958983
methyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate
CID 51557872
methyl 5-bromo-2-[(2,6-diethylphenyl)sulfamoyl]benzoate
CID 112769236
methyl 4-[(4-bromo-2-chlorophenyl)sulfonylamino]benzoate
CID 7938713
methyl 5-bromo-2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate
CID 47026087
N-(2-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958977
methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate
CID 25045124
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]benzoate?
The IUPAC name of methyl 5-bromo-2-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]benzoate (CID 25334935) is methyl 5-bromo-2-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 5-bromo-2-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 5-bromo-2-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]benzoate is COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1ccc(-c2cnc(C)o2)cc1.
What is the InChIKey of methyl 5-bromo-2-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]benzoate?
The InChIKey is WNZMKFVWHFPOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O5S/c1-11-20-10-16(26-11)12-3-6-14(7-4-12)21-27(23,24)17-8-5-13(19)9-15(17)18(22)25-2/h3-10,21H,1-2H3.
What are the key properties of methyl 5-bromo-2-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]benzoate?
methyl 5-bromo-2-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]benzoate has a molecular weight of 451.30 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-2-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfamoyl]benzoate is sourced from PubChem (CID 25334935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).