N'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide

C11H9BrN4O3S — CID 18207978

IUPACN'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1cccc(Br)c1)c1cnccn1
InChIInChI=1S/C11H9BrN4O3S/c12-8-2-1-3-9(6-8)20(18,19)16-15-11(17)10-7-13-4-5-14-10/h1-7,16H,(H,15,17)
InChIKeyHUMNMLCMFAYDQB-UHFFFAOYSA-N
MW357.19 g/mol
LogP0.86
Rot. Bonds4

About N'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide

N'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide (PubChem CID 18207978) has the molecular formula C11H9BrN4O3S and a molecular weight of 357.19 g/mol. Its IUPAC name is N'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide
PubChem CID18207978
Molecular FormulaC11H9BrN4O3S
Molecular Weight357.19 g/mol
Exact Mass355.96
IUPAC NameN'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1cccc(Br)c1)c1cnccn1
InChIInChI=1S/C11H9BrN4O3S/c12-8-2-1-3-9(6-8)20(18,19)16-15-11(17)10-7-13-4-5-14-10/h1-7,16H,(H,15,17)
InChIKeyHUMNMLCMFAYDQB-UHFFFAOYSA-N
XLogP0.86
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide?
The IUPAC name of N'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide (CID 18207978) is N'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide.
What is the SMILES notation for N'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide?
The canonical SMILES for N'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide is O=C(NNS(=O)(=O)c1cccc(Br)c1)c1cnccn1.
What is the InChIKey of N'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide?
The InChIKey is HUMNMLCMFAYDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O3S/c12-8-2-1-3-9(6-8)20(18,19)16-15-11(17)10-7-13-4-5-14-10/h1-7,16H,(H,15,17).
What are the key properties of N'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide?
N'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide has a molecular weight of 357.19 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide is sourced from PubChem (CID 18207978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).