N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1,3-oxazole-2-carboxamide

C17H14BrN3O5S — CID 166755154

IUPACN-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1,3-oxazole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ncco2)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3O5S/c1-25-14-7-6-13(20-16(22)17-19-8-9-26-17)10-15(14)27(23,24)21-12-4-2-11(18)3-5-12/h2-10,21H,1H3,(H,20,22)
InChIKeyXTTYFZZDEVSKOL-UHFFFAOYSA-N
MW452.29 g/mol
LogP3.50
Rot. Bonds6

About N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1,3-oxazole-2-carboxamide

N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1,3-oxazole-2-carboxamide (PubChem CID 166755154) has the molecular formula C17H14BrN3O5S and a molecular weight of 452.29 g/mol. Its IUPAC name is N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1,3-oxazole-2-carboxamide
PubChem CID166755154
Molecular FormulaC17H14BrN3O5S
Molecular Weight452.29 g/mol
Exact Mass450.98
IUPAC NameN-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1,3-oxazole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ncco2)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3O5S/c1-25-14-7-6-13(20-16(22)17-19-8-9-26-17)10-15(14)27(23,24)21-12-4-2-11(18)3-5-12/h2-10,21H,1H3,(H,20,22)
InChIKeyXTTYFZZDEVSKOL-UHFFFAOYSA-N
XLogP3.50
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.29
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1,3-oxazole-2-carboxamide (CID 166755154) is N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1,3-oxazole-2-carboxamide is COc1ccc(NC(=O)c2ncco2)cc1S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1,3-oxazole-2-carboxamide?
The InChIKey is XTTYFZZDEVSKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O5S/c1-25-14-7-6-13(20-16(22)17-19-8-9-26-17)10-15(14)27(23,24)21-12-4-2-11(18)3-5-12/h2-10,21H,1H3,(H,20,22).
What are the key properties of N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1,3-oxazole-2-carboxamide?
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1,3-oxazole-2-carboxamide has a molecular weight of 452.29 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 166755154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).