3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide

C18H16BrN3O4S — CID 1184444

IUPAC3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)c1C
InChIInChI=1S/C18H16BrN3O4S/c1-11-12(2)21-26-18(11)22-27(24,25)16-8-6-15(7-9-16)20-17(23)13-4-3-5-14(19)10-13/h3-10,22H,1-2H3,(H,20,23)
InChIKeyOIRZHPJPJSGMEX-UHFFFAOYSA-N
MW450.31 g/mol
LogP4.11
Rot. Bonds5

About 3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide

3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide (PubChem CID 1184444) has the molecular formula C18H16BrN3O4S and a molecular weight of 450.31 g/mol. Its IUPAC name is 3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
PubChem CID1184444
Molecular FormulaC18H16BrN3O4S
Molecular Weight450.31 g/mol
Exact Mass449.00
IUPAC Name3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)c1C
InChIInChI=1S/C18H16BrN3O4S/c1-11-12(2)21-26-18(11)22-27(24,25)16-8-6-15(7-9-16)20-17(23)13-4-3-5-14(19)10-13/h3-10,22H,1-2H3,(H,20,23)
InChIKeyOIRZHPJPJSGMEX-UHFFFAOYSA-N
XLogP4.11
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.31
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
CID 108797463
2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4119855
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-phenylbenzamide
CID 1107623
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 19225858
3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219664
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784648
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,6-dimethylpyridine-2-carboxamide
CID 19224388
ethyl N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamate
CID 841728
3-(4-bromophenyl)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]prop-2-enamide
CID 1012163
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-ethylbutanamide
CID 3456725
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-8-methyl-4-oxochromene-2-carboxamide
CID 19119129

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide (CID 1184444) is 3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)c1C.
What is the InChIKey of 3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is OIRZHPJPJSGMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O4S/c1-11-12(2)21-26-18(11)22-27(24,25)16-8-6-15(7-9-16)20-17(23)13-4-3-5-14(19)10-13/h3-10,22H,1-2H3,(H,20,23).
What are the key properties of 3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide?
3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 450.31 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1184444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).