5-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide

C12H21ClN4O2S — CID 64606467

IUPAC5-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)CC(C)N(C)S(=O)(=O)c1cnc(NN)c(Cl)c1
InChIInChI=1S/C12H21ClN4O2S/c1-8(2)5-9(3)17(4)20(18,19)10-6-11(13)12(16-14)15-7-10/h6-9H,5,14H2,1-4H3,(H,15,16)
InChIKeyJTLNUMBEZSDCNL-UHFFFAOYSA-N
MW320.85 g/mol
LogP2.08
Rot. Bonds6

About 5-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide

5-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide (PubChem CID 64606467) has the molecular formula C12H21ClN4O2S and a molecular weight of 320.85 g/mol. Its IUPAC name is 5-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide
PubChem CID64606467
Molecular FormulaC12H21ClN4O2S
Molecular Weight320.85 g/mol
Exact Mass320.11
IUPAC Name5-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)CC(C)N(C)S(=O)(=O)c1cnc(NN)c(Cl)c1
InChIInChI=1S/C12H21ClN4O2S/c1-8(2)5-9(3)17(4)20(18,19)10-6-11(13)12(16-14)15-7-10/h6-9H,5,14H2,1-4H3,(H,15,16)
InChIKeyJTLNUMBEZSDCNL-UHFFFAOYSA-N
XLogP2.08
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 52.08
H-Bond Donors ≤ 52
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

5-chloro-N-[2-(dimethylamino)ethyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 64608007
5-chloro-N-(2-cyanopropyl)-6-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 64608758
5-chloro-6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64601073
5-chloro-6-hydrazinyl-N-methyl-N-pyridin-4-ylpyridine-3-sulfonamide
CID 106936239
5-chloro-6-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 64608963
5-chloro-N,N-bis(cyanomethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 64607392
5-chloro-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide
CID 64600685
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-propylpyridine-3-sulfonamide
CID 64607208
5-chloro-6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 64608776
2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonylamino]propanamide
CID 64607030
5-chloro-6-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyridine-3-sulfonamide
CID 64608765

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide (CID 64606467) is 5-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide is CC(C)CC(C)N(C)S(=O)(=O)c1cnc(NN)c(Cl)c1.
What is the InChIKey of 5-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide?
The InChIKey is JTLNUMBEZSDCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O2S/c1-8(2)5-9(3)17(4)20(18,19)10-6-11(13)12(16-14)15-7-10/h6-9H,5,14H2,1-4H3,(H,15,16).
What are the key properties of 5-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide?
5-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide has a molecular weight of 320.85 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 64606467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).