N-[(2-bromophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide

C12H13BrN4O2S — CID 61413878

IUPACN-[(2-bromophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
SMILESNNc1ncccc1S(=O)(=O)NCc1ccccc1Br
InChIInChI=1S/C12H13BrN4O2S/c13-10-5-2-1-4-9(10)8-16-20(18,19)11-6-3-7-15-12(11)17-14/h1-7,16H,8,14H2,(H,15,17)
InChIKeyXMGIRUYTVKQMPO-UHFFFAOYSA-N
MW357.23 g/mol
LogP1.61
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide

N-[(2-bromophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide (PubChem CID 61413878) has the molecular formula C12H13BrN4O2S and a molecular weight of 357.23 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
PubChem CID61413878
Molecular FormulaC12H13BrN4O2S
Molecular Weight357.23 g/mol
Exact Mass355.99
IUPAC NameN-[(2-bromophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
SMILESNNc1ncccc1S(=O)(=O)NCc1ccccc1Br
InChIInChI=1S/C12H13BrN4O2S/c13-10-5-2-1-4-9(10)8-16-20(18,19)11-6-3-7-15-12(11)17-14/h1-7,16H,8,14H2,(H,15,17)
InChIKeyXMGIRUYTVKQMPO-UHFFFAOYSA-N
XLogP1.61
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2-bromophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2-ethylphenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
CID 64694908
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
2-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridine-3-sulfonamide
CID 106419554
N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 61413923
2-[(2-hydrazinyl-3-pyridinyl)sulfonylamino]acetamide
CID 43545765
N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 61413876
N-(2-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456850
N-[(3-chlorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
CID 62532935
2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 63303237
2-hydrazinyl-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-sulfonamide
CID 62848316
N-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinylpyridine-3-sulfonamide
CID 62635837
2-bromo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 91625864

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide (CID 61413878) is N-[(2-bromophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide is NNc1ncccc1S(=O)(=O)NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide?
The InChIKey is XMGIRUYTVKQMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2S/c13-10-5-2-1-4-9(10)8-16-20(18,19)11-6-3-7-15-12(11)17-14/h1-7,16H,8,14H2,(H,15,17).
What are the key properties of N-[(2-bromophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide?
N-[(2-bromophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide has a molecular weight of 357.23 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 61413878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).