5-bromo-2-hydrazinyl-N-(3-methoxycyclobutyl)pyridine-3-sulfonamide

C10H15BrN4O3S — CID 114119962

IUPAC5-bromo-2-hydrazinyl-N-(3-methoxycyclobutyl)pyridine-3-sulfonamide
SMILESCOC1CC(NS(=O)(=O)c2cc(Br)cnc2NN)C1
InChIInChI=1S/C10H15BrN4O3S/c1-18-8-3-7(4-8)15-19(16,17)9-2-6(11)5-13-10(9)14-12/h2,5,7-8,15H,3-4,12H2,1H3,(H,13,14)
InChIKeyTZVCIKZULVMFPX-UHFFFAOYSA-N
MW351.23 g/mol
LogP0.59
Rot. Bonds5

About 5-bromo-2-hydrazinyl-N-(3-methoxycyclobutyl)pyridine-3-sulfonamide

5-bromo-2-hydrazinyl-N-(3-methoxycyclobutyl)pyridine-3-sulfonamide (PubChem CID 114119962) has the molecular formula C10H15BrN4O3S and a molecular weight of 351.23 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-(3-methoxycyclobutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-(3-methoxycyclobutyl)pyridine-3-sulfonamide
PubChem CID114119962
Molecular FormulaC10H15BrN4O3S
Molecular Weight351.23 g/mol
Exact Mass350.00
IUPAC Name5-bromo-2-hydrazinyl-N-(3-methoxycyclobutyl)pyridine-3-sulfonamide
SMILESCOC1CC(NS(=O)(=O)c2cc(Br)cnc2NN)C1
InChIInChI=1S/C10H15BrN4O3S/c1-18-8-3-7(4-8)15-19(16,17)9-2-6(11)5-13-10(9)14-12/h2,5,7-8,15H,3-4,12H2,1H3,(H,13,14)
InChIKeyTZVCIKZULVMFPX-UHFFFAOYSA-N
XLogP0.59
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 50.59
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-(3-methoxycyclobutyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-hydrazinyl-N-(3-methoxycyclobutyl)pyridine-3-sulfonamide (CID 114119962) is 5-bromo-2-hydrazinyl-N-(3-methoxycyclobutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-(3-methoxycyclobutyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-(3-methoxycyclobutyl)pyridine-3-sulfonamide is COC1CC(NS(=O)(=O)c2cc(Br)cnc2NN)C1.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-(3-methoxycyclobutyl)pyridine-3-sulfonamide?
The InChIKey is TZVCIKZULVMFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O3S/c1-18-8-3-7(4-8)15-19(16,17)9-2-6(11)5-13-10(9)14-12/h2,5,7-8,15H,3-4,12H2,1H3,(H,13,14).
What are the key properties of 5-bromo-2-hydrazinyl-N-(3-methoxycyclobutyl)pyridine-3-sulfonamide?
5-bromo-2-hydrazinyl-N-(3-methoxycyclobutyl)pyridine-3-sulfonamide has a molecular weight of 351.23 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-(3-methoxycyclobutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 114119962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).