N'-methylsulfonylpyridin-1-ium-1-carbohydrazide bromide

C7H10BrN3O3S — CID 157223354

IUPACN'-methylsulfonylpyridin-1-ium-1-carbohydrazide bromide
SMILESCS(=O)(=O)NNC(=O)[n+]1ccccc1.[Br-]
InChIInChI=1S/C7H9N3O3S.BrH/c1-14(12,13)9-8-7(11)10-5-3-2-4-6-10;/h2-6,9H,1H3;1H
InChIKeyATGGJVXMYNVFGP-UHFFFAOYSA-N
MW296.15 g/mol
LogP-4.00
Rot. Bonds2

About N'-methylsulfonylpyridin-1-ium-1-carbohydrazide bromide

N'-methylsulfonylpyridin-1-ium-1-carbohydrazide bromide (PubChem CID 157223354) has the molecular formula C7H10BrN3O3S and a molecular weight of 296.15 g/mol. Its IUPAC name is N'-methylsulfonylpyridin-1-ium-1-carbohydrazide bromide.

Molecular Properties

Compound NameN'-methylsulfonylpyridin-1-ium-1-carbohydrazide bromide
PubChem CID157223354
Molecular FormulaC7H10BrN3O3S
Molecular Weight296.15 g/mol
Exact Mass294.96
IUPAC NameN'-methylsulfonylpyridin-1-ium-1-carbohydrazide bromide
SMILESCS(=O)(=O)NNC(=O)[n+]1ccccc1.[Br-]
InChIInChI=1S/C7H9N3O3S.BrH/c1-14(12,13)9-8-7(11)10-5-3-2-4-6-10;/h2-6,9H,1H3;1H
InChIKeyATGGJVXMYNVFGP-UHFFFAOYSA-N
XLogP-4.00
TPSA79.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 5-4.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N'-methylsulfonylpyridin-1-ium-1-carbohydrazide bromide 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'-methylsulfonylpyridin-1-ium-1-carbohydrazide bromide?
The IUPAC name of N'-methylsulfonylpyridin-1-ium-1-carbohydrazide bromide (CID 157223354) is N'-methylsulfonylpyridin-1-ium-1-carbohydrazide bromide.
What is the SMILES notation for N'-methylsulfonylpyridin-1-ium-1-carbohydrazide bromide?
The canonical SMILES for N'-methylsulfonylpyridin-1-ium-1-carbohydrazide bromide is CS(=O)(=O)NNC(=O)[n+]1ccccc1.[Br-].
What is the InChIKey of N'-methylsulfonylpyridin-1-ium-1-carbohydrazide bromide?
The InChIKey is ATGGJVXMYNVFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S.BrH/c1-14(12,13)9-8-7(11)10-5-3-2-4-6-10;/h2-6,9H,1H3;1H.
What are the key properties of N'-methylsulfonylpyridin-1-ium-1-carbohydrazide bromide?
N'-methylsulfonylpyridin-1-ium-1-carbohydrazide bromide has a molecular weight of 296.15 g/mol, XLogP of -4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylsulfonylpyridin-1-ium-1-carbohydrazide bromide is sourced from PubChem (CID 157223354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).