N-[4-(cyanomethyl)phenyl]-6-hydrazinylpyridine-3-sulfonamide

C13H13N5O2S — CID 62301362

IUPACN-[4-(cyanomethyl)phenyl]-6-hydrazinylpyridine-3-sulfonamide
SMILESN#CCc1ccc(NS(=O)(=O)c2ccc(NN)nc2)cc1
InChIInChI=1S/C13H13N5O2S/c14-8-7-10-1-3-11(4-2-10)18-21(19,20)12-5-6-13(17-15)16-9-12/h1-6,9,18H,7,15H2,(H,16,17)
InChIKeyARGLNSGFBLDBMS-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.23
Rot. Bonds5

About N-[4-(cyanomethyl)phenyl]-6-hydrazinylpyridine-3-sulfonamide

N-[4-(cyanomethyl)phenyl]-6-hydrazinylpyridine-3-sulfonamide (PubChem CID 62301362) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-6-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-6-hydrazinylpyridine-3-sulfonamide
PubChem CID62301362
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC NameN-[4-(cyanomethyl)phenyl]-6-hydrazinylpyridine-3-sulfonamide
SMILESN#CCc1ccc(NS(=O)(=O)c2ccc(NN)nc2)cc1
InChIInChI=1S/C13H13N5O2S/c14-8-7-10-1-3-11(4-2-10)18-21(19,20)12-5-6-13(17-15)16-9-12/h1-6,9,18H,7,15H2,(H,16,17)
InChIKeyARGLNSGFBLDBMS-UHFFFAOYSA-N
XLogP1.23
TPSA120.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-amino-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 62057983
6-hydrazinyl-N-thiophen-3-ylpyridine-3-sulfonamide
CID 66355225
6-hydrazinyl-N-(1H-pyrazol-4-yl)pyridine-3-sulfonamide
CID 43540315
4-tert-butyl-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 25036783
N-[4-(cyanomethyl)phenyl]-4-propylbenzenesulfonamide
CID 25042511
3-amino-4-bromo-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 115329223
N-[4-(cyanomethyl)phenyl]-2-hydrazinylpyridine-3-sulfonamide
CID 62301529
3-amino-N-[4-(cyanomethyl)phenyl]-4-methylbenzenesulfonamide
CID 62058676
N-(4-cyanophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62144186
5-amino-N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 55056893
3-bromo-4-chloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 106605805
methyl 5-[[4-(cyanomethyl)phenyl]sulfamoyl]-2-methylbenzoate
CID 95971299

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-6-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-6-hydrazinylpyridine-3-sulfonamide (CID 62301362) is N-[4-(cyanomethyl)phenyl]-6-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-6-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-6-hydrazinylpyridine-3-sulfonamide is N#CCc1ccc(NS(=O)(=O)c2ccc(NN)nc2)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-6-hydrazinylpyridine-3-sulfonamide?
The InChIKey is ARGLNSGFBLDBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c14-8-7-10-1-3-11(4-2-10)18-21(19,20)12-5-6-13(17-15)16-9-12/h1-6,9,18H,7,15H2,(H,16,17).
What are the key properties of N-[4-(cyanomethyl)phenyl]-6-hydrazinylpyridine-3-sulfonamide?
N-[4-(cyanomethyl)phenyl]-6-hydrazinylpyridine-3-sulfonamide has a molecular weight of 303.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-6-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 62301362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).