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

C16H12BrN3O3S — CID 166755191

IUPACN-[3-(4-bromophenyl)sulfinamoylphenyl]-1,3-oxazole-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)Nc2ccc(Br)cc2)c1)c1ncco1
InChIInChI=1S/C16H12BrN3O3S/c17-11-4-6-12(7-5-11)20-24(22)14-3-1-2-13(10-14)19-15(21)16-18-8-9-23-16/h1-10,20H,(H,19,21)
InChIKeyLIQOZOJRYUIOMO-UHFFFAOYSA-N
MW406.26 g/mol
LogP3.82
Rot. Bonds5

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

N-[3-(4-bromophenyl)sulfinamoylphenyl]-1,3-oxazole-2-carboxamide (PubChem CID 166755191) has the molecular formula C16H12BrN3O3S and a molecular weight of 406.26 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)sulfinamoylphenyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)sulfinamoylphenyl]-1,3-oxazole-2-carboxamide
PubChem CID166755191
Molecular FormulaC16H12BrN3O3S
Molecular Weight406.26 g/mol
Exact Mass404.98
IUPAC NameN-[3-(4-bromophenyl)sulfinamoylphenyl]-1,3-oxazole-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)Nc2ccc(Br)cc2)c1)c1ncco1
InChIInChI=1S/C16H12BrN3O3S/c17-11-4-6-12(7-5-11)20-24(22)14-3-1-2-13(10-14)19-15(21)16-18-8-9-23-16/h1-10,20H,(H,19,21)
InChIKeyLIQOZOJRYUIOMO-UHFFFAOYSA-N
XLogP3.82
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.26
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-fluoro-3-(4-fluoroanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide
CID 156860002
N-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
CID 166755207
5-amino-2-bromo-4-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369177
N-[3-[(4-bromophenyl)-methylsulfamoyl]phenyl]-N-methyl-1,3-oxazole-2-carboxamide
CID 156859643
N-[3-(4-bromo-N-propylanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide
CID 156859704
N-[3-(4-bromoanilino)sulfanylphenyl]-1,3-oxazole-2-carboxamide
CID 156859820
(4-Bromoanilino)-hydroxy-[2-(2-hydroxyethyl)-5-(1,3-oxazole-2-carbonylamino)phenyl]sulfanium
CID 156859970
N-[3-(4-bromoanilino)sulfanyl-4-(2-hydroxyethyl)phenyl]-1,3-oxazole-2-carboxamide
CID 156860005
N-[3-[(4-bromophenyl)sulfamoyl]-4-(2-hydroxyethyl)phenyl]-1,3-oxazole-2-carboxamide
CID 166748377
N-[3-(4-bromophenyl)sulfinamoyl-4-(2-hydroxyethyl)phenyl]-1,3-oxazole-2-carboxamide
CID 166755082
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-1,3-oxazole-2-carboxamide
CID 166755154
N-[3-[(4-bromophenyl)-propylsulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
CID 166755192

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)sulfinamoylphenyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[3-(4-bromophenyl)sulfinamoylphenyl]-1,3-oxazole-2-carboxamide (CID 166755191) is N-[3-(4-bromophenyl)sulfinamoylphenyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[3-(4-bromophenyl)sulfinamoylphenyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[3-(4-bromophenyl)sulfinamoylphenyl]-1,3-oxazole-2-carboxamide is O=C(Nc1cccc(S(=O)Nc2ccc(Br)cc2)c1)c1ncco1.
What is the InChIKey of N-[3-(4-bromophenyl)sulfinamoylphenyl]-1,3-oxazole-2-carboxamide?
The InChIKey is LIQOZOJRYUIOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O3S/c17-11-4-6-12(7-5-11)20-24(22)14-3-1-2-13(10-14)19-15(21)16-18-8-9-23-16/h1-10,20H,(H,19,21).
What are the key properties of N-[3-(4-bromophenyl)sulfinamoylphenyl]-1,3-oxazole-2-carboxamide?
N-[3-(4-bromophenyl)sulfinamoylphenyl]-1,3-oxazole-2-carboxamide has a molecular weight of 406.26 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)sulfinamoylphenyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 166755191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).