N-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide

C13H16N4O2S — CID 43456741

IUPACN-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccnc2NN)cc1C
InChIInChI=1S/C13H16N4O2S/c1-9-5-6-11(8-10(9)2)17-20(18,19)12-4-3-7-15-13(12)16-14/h3-8,17H,14H2,1-2H3,(H,15,16)
InChIKeyDSCFHKNKOWSKDO-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.78
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide

N-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide (PubChem CID 43456741) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
PubChem CID43456741
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccnc2NN)cc1C
InChIInChI=1S/C13H16N4O2S/c1-9-5-6-11(8-10(9)2)17-20(18,19)12-4-3-7-15-13(12)16-14/h3-8,17H,14H2,1-2H3,(H,15,16)
InChIKeyDSCFHKNKOWSKDO-UHFFFAOYSA-N
XLogP1.78
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.78
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

2-anilino-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
CID 50845504
N-(4-chlorophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456810
N-(3-bromophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456824
N-(4-chloro-3-fluorophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61468313
N-(1,3-benzodioxol-5-yl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456605
N-(4-bromo-3-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62149915
N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456936
3-amino-N-(3,4-dimethylphenyl)pyridine-2-sulfonamide
CID 103303574
2-hydrazinyl-N-(4-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 63327419
2-hydrazinyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
CID 43383641
N-(2-bromo-5-chloro-4-methylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 104724505
2-hydrazinyl-N-(5-methyl-2-pyridinyl)pyridine-3-sulfonamide
CID 43456730

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide (CID 43456741) is N-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2cccnc2NN)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide?
The InChIKey is DSCFHKNKOWSKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-9-5-6-11(8-10(9)2)17-20(18,19)12-4-3-7-15-13(12)16-14/h3-8,17H,14H2,1-2H3,(H,15,16).
What are the key properties of N-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide?
N-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 43456741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).