5-chloro-N,N-bis(cyanomethyl)-6-hydrazinylpyridine-3-sulfonamide

C9H9ClN6O2S — CID 64607392

IUPAC5-chloro-N,N-bis(cyanomethyl)-6-hydrazinylpyridine-3-sulfonamide
SMILESN#CCN(CC#N)S(=O)(=O)c1cnc(NN)c(Cl)c1
InChIInChI=1S/C9H9ClN6O2S/c10-8-5-7(6-14-9(8)15-13)19(17,18)16(3-1-11)4-2-12/h5-6H,3-4,13H2,(H,14,15)
InChIKeyPYQVVLNIZFCBFG-UHFFFAOYSA-N
MW300.73 g/mol
LogP0.06
Rot. Bonds5

About 5-chloro-N,N-bis(cyanomethyl)-6-hydrazinylpyridine-3-sulfonamide

5-chloro-N,N-bis(cyanomethyl)-6-hydrazinylpyridine-3-sulfonamide (PubChem CID 64607392) has the molecular formula C9H9ClN6O2S and a molecular weight of 300.73 g/mol. Its IUPAC name is 5-chloro-N,N-bis(cyanomethyl)-6-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N,N-bis(cyanomethyl)-6-hydrazinylpyridine-3-sulfonamide
PubChem CID64607392
Molecular FormulaC9H9ClN6O2S
Molecular Weight300.73 g/mol
Exact Mass300.02
IUPAC Name5-chloro-N,N-bis(cyanomethyl)-6-hydrazinylpyridine-3-sulfonamide
SMILESN#CCN(CC#N)S(=O)(=O)c1cnc(NN)c(Cl)c1
InChIInChI=1S/C9H9ClN6O2S/c10-8-5-7(6-14-9(8)15-13)19(17,18)16(3-1-11)4-2-12/h5-6H,3-4,13H2,(H,14,15)
InChIKeyPYQVVLNIZFCBFG-UHFFFAOYSA-N
XLogP0.06
TPSA135.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.73
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2-cyanopropyl)-6-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 64608758
5-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 107480756
5-chloro-N-[2-(dimethylamino)ethyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 64608007
5-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 64606467
5-chloro-6-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 64608963
5-chloro-6-hydrazinyl-N-methyl-N-pyridin-4-ylpyridine-3-sulfonamide
CID 106936239
ethyl 2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonyl-methylamino]acetate;ethyl 2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]acetate
CID 160881864
5-chloro-6-hydrazinyl-N-pyrimidin-2-ylpyridine-3-sulfonamide
CID 64608544
5-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 64608776
5-chloro-6-hydrazinyl-N-propylpyridine-3-sulfonamide
CID 64607208
N,N-bis(cyanomethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62163524
5-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 105419180

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-bis(cyanomethyl)-6-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N,N-bis(cyanomethyl)-6-hydrazinylpyridine-3-sulfonamide (CID 64607392) is 5-chloro-N,N-bis(cyanomethyl)-6-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N,N-bis(cyanomethyl)-6-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N,N-bis(cyanomethyl)-6-hydrazinylpyridine-3-sulfonamide is N#CCN(CC#N)S(=O)(=O)c1cnc(NN)c(Cl)c1.
What is the InChIKey of 5-chloro-N,N-bis(cyanomethyl)-6-hydrazinylpyridine-3-sulfonamide?
The InChIKey is PYQVVLNIZFCBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN6O2S/c10-8-5-7(6-14-9(8)15-13)19(17,18)16(3-1-11)4-2-12/h5-6H,3-4,13H2,(H,14,15).
What are the key properties of 5-chloro-N,N-bis(cyanomethyl)-6-hydrazinylpyridine-3-sulfonamide?
5-chloro-N,N-bis(cyanomethyl)-6-hydrazinylpyridine-3-sulfonamide has a molecular weight of 300.73 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-bis(cyanomethyl)-6-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 64607392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).