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

C18H16BrN3O4S — CID 978627

IUPAC4-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1C
InChIInChI=1S/C18H16BrN3O4S/c1-11-12(2)21-26-18(11)22-27(24,25)16-9-7-15(8-10-16)20-17(23)13-3-5-14(19)6-4-13/h3-10,22H,1-2H3,(H,20,23)
InChIKeyAIGYUEMACHJVEF-UHFFFAOYSA-N
MW450.31 g/mol
LogP4.11
Rot. Bonds5

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

4-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide (PubChem CID 978627) has the molecular formula C18H16BrN3O4S and a molecular weight of 450.31 g/mol. Its IUPAC name is 4-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
PubChem CID978627
Molecular FormulaC18H16BrN3O4S
Molecular Weight450.31 g/mol
Exact Mass449.00
IUPAC Name4-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
SMILESCc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1C
InChIInChI=1S/C18H16BrN3O4S/c1-11-12(2)21-26-18(11)22-27(24,25)16-9-7-15(8-10-16)20-17(23)13-3-5-14(19)6-4-13/h3-10,22H,1-2H3,(H,20,23)
InChIKeyAIGYUEMACHJVEF-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

N-[4-(3,4-Dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-isobutyramide
CID 678193
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2344397
N-(3,4-Dimethyl-5-isoxazolyl)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenesulfonamide
CID 613860
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-methylbenzamide
CID 1182484
(2E)-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)-3-phenylprop-2-e namide
CID 2319873
(E)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1000772
N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-2,4,6-trimethylbenzamide
CID 1107621
N-(3,4-dimethyl-5-isoxazolyl)-4-{[3-(4-methylphenyl)-3-oxo-1-propen-1-yl]amino}benzenesulfonamide
CID 1224205
N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-(phenylsulfonyl)acetamide
CID 1825600
3-cyclohexyl-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)propanamide
CID 2059808
N-(3,4-dimethylisoxazol-5-yl)-4-{[(1E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino}benzenesulfonamide
CID 2295098
N-(3,4-Dimethyl-1,2-oxazol-5-YL)-4-{[(1E)-3-oxo-3-phenylprop-1-EN-1-YL]amino}benzene-1-sulfonamide
CID 2298960

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide (CID 978627) is 4-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide is Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1C.
What is the InChIKey of 4-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is AIGYUEMACHJVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O4S/c1-11-12(2)21-26-18(11)22-27(24,25)16-9-7-15(8-10-16)20-17(23)13-3-5-14(19)6-4-13/h3-10,22H,1-2H3,(H,20,23).
What are the key properties of 4-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide?
4-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 4-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 978627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).