N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide

C14H12BrFN2O4S — CID 9038487

IUPACN-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide
SMILESO=C(CONS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H12BrFN2O4S/c15-10-1-5-12(6-2-10)17-14(19)9-22-18-23(20,21)13-7-3-11(16)4-8-13/h1-8,18H,9H2,(H,17,19)
InChIKeyDQIOPVRZWVJSQP-UHFFFAOYSA-N
MW403.23 g/mol
LogP2.44
Rot. Bonds6

About N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide

N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide (PubChem CID 9038487) has the molecular formula C14H12BrFN2O4S and a molecular weight of 403.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide
PubChem CID9038487
Molecular FormulaC14H12BrFN2O4S
Molecular Weight403.23 g/mol
Exact Mass401.97
IUPAC NameN-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide
SMILESO=C(CONS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H12BrFN2O4S/c15-10-1-5-12(6-2-10)17-14(19)9-22-18-23(20,21)13-7-3-11(16)4-8-13/h1-8,18H,9H2,(H,17,19)
InChIKeyDQIOPVRZWVJSQP-UHFFFAOYSA-N
XLogP2.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.23
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 7883765
2-[(4-bromophenyl)sulfonylamino]oxyacetic acid
CID 60661242
2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 2529382
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544356
N-(2,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide
CID 9034202
N-(4-bromophenyl)-3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propanamide
CID 60508186
N-(4-bromophenyl)-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 30259314
[2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828175
[2-(4-bromoanilino)-2-oxoethyl] 4-(tert-butylsulfamoyl)benzoate
CID 31656164
2-(4-bromophenoxy)-N-[4-(tert-butylsulfamoyl)phenyl]acetamide
CID 1015592
2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-(4-iodophenyl)acetamide
CID 126396397
2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 115918565

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide (CID 9038487) is N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide is O=C(CONS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide?
The InChIKey is DQIOPVRZWVJSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O4S/c15-10-1-5-12(6-2-10)17-14(19)9-22-18-23(20,21)13-7-3-11(16)4-8-13/h1-8,18H,9H2,(H,17,19).
What are the key properties of N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide?
N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide has a molecular weight of 403.23 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]oxyacetamide is sourced from PubChem (CID 9038487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).