N-(1,3-benzodioxol-5-yl)-2-hydrazinylpyridine-3-sulfonamide

C12H12N4O4S — CID 43456605

IUPACN-(1,3-benzodioxol-5-yl)-2-hydrazinylpyridine-3-sulfonamide
SMILESNNc1ncccc1S(=O)(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C12H12N4O4S/c13-15-12-11(2-1-5-14-12)21(17,18)16-8-3-4-9-10(6-8)20-7-19-9/h1-6,16H,7,13H2,(H,14,15)
InChIKeyZJOWAQISNSWDAP-UHFFFAOYSA-N
MW308.32 g/mol
LogP0.90
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-hydrazinylpyridine-3-sulfonamide

N-(1,3-benzodioxol-5-yl)-2-hydrazinylpyridine-3-sulfonamide (PubChem CID 43456605) has the molecular formula C12H12N4O4S and a molecular weight of 308.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-hydrazinylpyridine-3-sulfonamide
PubChem CID43456605
Molecular FormulaC12H12N4O4S
Molecular Weight308.32 g/mol
Exact Mass308.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-hydrazinylpyridine-3-sulfonamide
SMILESNNc1ncccc1S(=O)(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C12H12N4O4S/c13-15-12-11(2-1-5-14-12)21(17,18)16-8-3-4-9-10(6-8)20-7-19-9/h1-6,16H,7,13H2,(H,14,15)
InChIKeyZJOWAQISNSWDAP-UHFFFAOYSA-N
XLogP0.90
TPSA115.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-sulfonamide
CID 62163676
N-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456741
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-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456936
N-[4-(cyanomethyl)phenyl]-2-hydrazinylpyridine-3-sulfonamide
CID 62301529
2-hydrazinyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
CID 43383641
N-(1,3-benzodioxol-5-yl)-2-chloropyridine-4-sulfonamide
CID 61003220
N-(1,3-benzodioxol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758954
N-(1,3-benzodioxol-5-yl)-2,4-dichlorobenzenesulfonamide
CID 3716276
N-(2-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456850

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-hydrazinylpyridine-3-sulfonamide (CID 43456605) is N-(1,3-benzodioxol-5-yl)-2-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-hydrazinylpyridine-3-sulfonamide is NNc1ncccc1S(=O)(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-hydrazinylpyridine-3-sulfonamide?
The InChIKey is ZJOWAQISNSWDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4S/c13-15-12-11(2-1-5-14-12)21(17,18)16-8-3-4-9-10(6-8)20-7-19-9/h1-6,16H,7,13H2,(H,14,15).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-hydrazinylpyridine-3-sulfonamide?
N-(1,3-benzodioxol-5-yl)-2-hydrazinylpyridine-3-sulfonamide has a molecular weight of 308.32 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 43456605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).