N-(3-bromo-5-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide

C12H13BrN4O2S — CID 107584202

IUPACN-(3-bromo-5-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide
SMILESCc1cc(Br)cc(NS(=O)(=O)c2ccnc(NN)c2)c1
InChIInChI=1S/C12H13BrN4O2S/c1-8-4-9(13)6-10(5-8)17-20(18,19)11-2-3-15-12(7-11)16-14/h2-7,17H,14H2,1H3,(H,15,16)
InChIKeyWMWDJXKCLDEMQJ-UHFFFAOYSA-N
MW357.23 g/mol
LogP2.24
Rot. Bonds4

About N-(3-bromo-5-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide

N-(3-bromo-5-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide (PubChem CID 107584202) has the molecular formula C12H13BrN4O2S and a molecular weight of 357.23 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide
PubChem CID107584202
Molecular FormulaC12H13BrN4O2S
Molecular Weight357.23 g/mol
Exact Mass355.99
IUPAC NameN-(3-bromo-5-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide
SMILESCc1cc(Br)cc(NS(=O)(=O)c2ccnc(NN)c2)c1
InChIInChI=1S/C12H13BrN4O2S/c1-8-4-9(13)6-10(5-8)17-20(18,19)11-2-3-15-12(7-11)16-14/h2-7,17H,14H2,1H3,(H,15,16)
InChIKeyWMWDJXKCLDEMQJ-UHFFFAOYSA-N
XLogP2.24
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 52.24
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'}

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Related Compounds

N-(4-fluoro-3-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 62812201
N-(2,5-dimethylphenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61004704
N-(3,4-difluorophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61004703
2-hydrazinyl-N-(6-methoxy-3-pyridinyl)pyridine-4-sulfonamide
CID 61004702
N-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62144171
N-(5-bromo-1,3-thiazol-2-yl)-2-hydrazinylpyridine-4-sulfonamide
CID 61004029
3-amino-N-(3-bromo-5-methylphenyl)-4-fluorobenzenesulfonamide
CID 107581716
2-(methylamino)-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 55044083
N-(3-chloro-4-fluorophenyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61003566
N-(1-benzothiophen-5-yl)-2-hydrazinylpyridine-4-sulfonamide
CID 65451533
N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide
CID 110604794
2-hydrazinyl-N-(thiatriazol-5-yl)pyridine-4-sulfonamide
CID 114912904

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide (CID 107584202) is N-(3-bromo-5-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide is Cc1cc(Br)cc(NS(=O)(=O)c2ccnc(NN)c2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide?
The InChIKey is WMWDJXKCLDEMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2S/c1-8-4-9(13)6-10(5-8)17-20(18,19)11-2-3-15-12(7-11)16-14/h2-7,17H,14H2,1H3,(H,15,16).
What are the key properties of N-(3-bromo-5-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide?
N-(3-bromo-5-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide has a molecular weight of 357.23 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-2-hydrazinylpyridine-4-sulfonamide is sourced from PubChem (CID 107584202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).