2-[2-(2,6-dibromo-4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide

C11H12Br2FN3O4S — CID 56501579

IUPAC2-[2-(2,6-dibromo-4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)NNS(=O)(=O)c1c(Br)cc(F)cc1Br
InChIInChI=1S/C11H12Br2FN3O4S/c1-5(2)15-10(18)11(19)16-17-22(20,21)9-7(12)3-6(14)4-8(9)13/h3-5,17H,1-2H3,(H,15,18)(H,16,19)
InChIKeyPWEOXCLIYDAGFO-UHFFFAOYSA-N
MW461.11 g/mol
LogP1.18
Rot. Bonds4

About 2-[2-(2,6-dibromo-4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide

2-[2-(2,6-dibromo-4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 56501579) has the molecular formula C11H12Br2FN3O4S and a molecular weight of 461.11 g/mol. Its IUPAC name is 2-[2-(2,6-dibromo-4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(2,6-dibromo-4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
PubChem CID56501579
Molecular FormulaC11H12Br2FN3O4S
Molecular Weight461.11 g/mol
Exact Mass458.89
IUPAC Name2-[2-(2,6-dibromo-4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)NNS(=O)(=O)c1c(Br)cc(F)cc1Br
InChIInChI=1S/C11H12Br2FN3O4S/c1-5(2)15-10(18)11(19)16-17-22(20,21)9-7(12)3-6(14)4-8(9)13/h3-5,17H,1-2H3,(H,15,18)(H,16,19)
InChIKeyPWEOXCLIYDAGFO-UHFFFAOYSA-N
XLogP1.18
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.11
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 8841002
methyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
CID 61141689
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 43237791
N'-(4-fluoro-2,6-dimethylphenyl)sulfonylacetohydrazide
CID 107326948
N'-(2-bromo-6-chloro-4-fluorophenyl)sulfonylpyridine-2-carbohydrazide
CID 75396737
2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide
CID 43347728
methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
CID 60639552
2-bromo-4,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606874
2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 106125988
2-bromo-4,6-difluorobenzenesulfonic acid
CID 87704904
2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83022882
2-bromo-4,6-difluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113466867

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dibromo-4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(2,6-dibromo-4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide (CID 56501579) is 2-[2-(2,6-dibromo-4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(2,6-dibromo-4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(2,6-dibromo-4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)NNS(=O)(=O)c1c(Br)cc(F)cc1Br.
What is the InChIKey of 2-[2-(2,6-dibromo-4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is PWEOXCLIYDAGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2FN3O4S/c1-5(2)15-10(18)11(19)16-17-22(20,21)9-7(12)3-6(14)4-8(9)13/h3-5,17H,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 2-[2-(2,6-dibromo-4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide?
2-[2-(2,6-dibromo-4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 461.11 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dibromo-4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 56501579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).