2-[2-(4-bromophenyl)sulfonylhydrazinyl]-2-oxo-N-phenylacetamide

C14H12BrN3O4S — CID 3032957

IUPAC2-[2-(4-bromophenyl)sulfonylhydrazinyl]-2-oxo-N-phenylacetamide
SMILESO=C(NNS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C14H12BrN3O4S/c15-10-6-8-12(9-7-10)23(21,22)18-17-14(20)13(19)16-11-4-2-1-3-5-11/h1-9,18H,(H,16,19)(H,17,20)
InChIKeyPKHWENRXYFHRFU-UHFFFAOYSA-N
MW398.24 g/mol
LogP1.40
Rot. Bonds4

About 2-[2-(4-bromophenyl)sulfonylhydrazinyl]-2-oxo-N-phenylacetamide

2-[2-(4-bromophenyl)sulfonylhydrazinyl]-2-oxo-N-phenylacetamide (PubChem CID 3032957) has the molecular formula C14H12BrN3O4S and a molecular weight of 398.24 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)sulfonylhydrazinyl]-2-oxo-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)sulfonylhydrazinyl]-2-oxo-N-phenylacetamide
PubChem CID3032957
Molecular FormulaC14H12BrN3O4S
Molecular Weight398.24 g/mol
Exact Mass396.97
IUPAC Name2-[2-(4-bromophenyl)sulfonylhydrazinyl]-2-oxo-N-phenylacetamide
SMILESO=C(NNS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C14H12BrN3O4S/c15-10-6-8-12(9-7-10)23(21,22)18-17-14(20)13(19)16-11-4-2-1-3-5-11/h1-9,18H,(H,16,19)(H,17,20)
InChIKeyPKHWENRXYFHRFU-UHFFFAOYSA-N
XLogP1.40
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.24
LogP ≤ 51.40
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)sulfonylhydrazinyl]-2-oxo-N-phenylacetamide?
The IUPAC name of 2-[2-(4-bromophenyl)sulfonylhydrazinyl]-2-oxo-N-phenylacetamide (CID 3032957) is 2-[2-(4-bromophenyl)sulfonylhydrazinyl]-2-oxo-N-phenylacetamide.
What is the SMILES notation for 2-[2-(4-bromophenyl)sulfonylhydrazinyl]-2-oxo-N-phenylacetamide?
The canonical SMILES for 2-[2-(4-bromophenyl)sulfonylhydrazinyl]-2-oxo-N-phenylacetamide is O=C(NNS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-(4-bromophenyl)sulfonylhydrazinyl]-2-oxo-N-phenylacetamide?
The InChIKey is PKHWENRXYFHRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O4S/c15-10-6-8-12(9-7-10)23(21,22)18-17-14(20)13(19)16-11-4-2-1-3-5-11/h1-9,18H,(H,16,19)(H,17,20).
What are the key properties of 2-[2-(4-bromophenyl)sulfonylhydrazinyl]-2-oxo-N-phenylacetamide?
2-[2-(4-bromophenyl)sulfonylhydrazinyl]-2-oxo-N-phenylacetamide has a molecular weight of 398.24 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)sulfonylhydrazinyl]-2-oxo-N-phenylacetamide is sourced from PubChem (CID 3032957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).