N-[4-(cyanomethyl)phenyl]-2-hydrazinylpyridine-3-sulfonamide

C13H13N5O2S — CID 62301529

IUPACN-[4-(cyanomethyl)phenyl]-2-hydrazinylpyridine-3-sulfonamide
SMILESN#CCc1ccc(NS(=O)(=O)c2cccnc2NN)cc1
InChIInChI=1S/C13H13N5O2S/c14-8-7-10-3-5-11(6-4-10)18-21(19,20)12-2-1-9-16-13(12)17-15/h1-6,9,18H,7,15H2,(H,16,17)
InChIKeyMSYUVOQAOLQWID-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.23
Rot. Bonds5

About N-[4-(cyanomethyl)phenyl]-2-hydrazinylpyridine-3-sulfonamide

N-[4-(cyanomethyl)phenyl]-2-hydrazinylpyridine-3-sulfonamide (PubChem CID 62301529) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-hydrazinylpyridine-3-sulfonamide
PubChem CID62301529
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-hydrazinylpyridine-3-sulfonamide
SMILESN#CCc1ccc(NS(=O)(=O)c2cccnc2NN)cc1
InChIInChI=1S/C13H13N5O2S/c14-8-7-10-3-5-11(6-4-10)18-21(19,20)12-2-1-9-16-13(12)17-15/h1-6,9,18H,7,15H2,(H,16,17)
InChIKeyMSYUVOQAOLQWID-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

N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide
CID 74225429
N-(4-chlorophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456810
N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456936
N-(3,4-dimethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456741
N-[4-(cyanomethyl)phenyl]-6-hydrazinylpyridine-3-sulfonamide
CID 62301362
5-amino-N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 55056893
N-(3-bromophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456824
N-(1,3-benzodioxol-5-yl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456605
N-(4-chloro-3-fluorophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61468313
2-hydrazinyl-N-(1-propan-2-ylpyrazol-4-yl)pyridine-3-sulfonamide
CID 62904457
N-(2-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456850
4-amino-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 62057983

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-hydrazinylpyridine-3-sulfonamide (CID 62301529) is N-[4-(cyanomethyl)phenyl]-2-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-hydrazinylpyridine-3-sulfonamide is N#CCc1ccc(NS(=O)(=O)c2cccnc2NN)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-hydrazinylpyridine-3-sulfonamide?
The InChIKey is MSYUVOQAOLQWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c14-8-7-10-3-5-11(6-4-10)18-21(19,20)12-2-1-9-16-13(12)17-15/h1-6,9,18H,7,15H2,(H,16,17).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-hydrazinylpyridine-3-sulfonamide?
N-[4-(cyanomethyl)phenyl]-2-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]-2-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 62301529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).