N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-hydrazinylpyridine-3-sulfonamide

C13H19BrN4O2S — CID 63683555

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-hydrazinylpyridine-3-sulfonamide
SMILESNNc1ncc(Br)cc1S(=O)(=O)NCC1CC2CCC1C2
InChIInChI=1S/C13H19BrN4O2S/c14-11-5-12(13(18-15)16-7-11)21(19,20)17-6-10-4-8-1-2-9(10)3-8/h5,7-10,17H,1-4,6,15H2,(H,16,18)
InChIKeyLAHUARSCJRAQHI-UHFFFAOYSA-N
MW375.29 g/mol
LogP1.84
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-hydrazinylpyridine-3-sulfonamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-hydrazinylpyridine-3-sulfonamide (PubChem CID 63683555) has the molecular formula C13H19BrN4O2S and a molecular weight of 375.29 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-hydrazinylpyridine-3-sulfonamide
PubChem CID63683555
Molecular FormulaC13H19BrN4O2S
Molecular Weight375.29 g/mol
Exact Mass374.04
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-hydrazinylpyridine-3-sulfonamide
SMILESNNc1ncc(Br)cc1S(=O)(=O)NCC1CC2CCC1C2
InChIInChI=1S/C13H19BrN4O2S/c14-11-5-12(13(18-15)16-7-11)21(19,20)17-6-10-4-8-1-2-9(10)3-8/h5,7-10,17H,1-4,6,15H2,(H,16,18)
InChIKeyLAHUARSCJRAQHI-UHFFFAOYSA-N
XLogP1.84
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 51.84
H-Bond Donors ≤ 53
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-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide
CID 80599938
5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-sulfonamide
CID 62133630
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide
CID 63686492
5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 113464137
5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide
CID 62414810
5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61298746
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide
CID 63689393
5-bromo-2-(ethylamino)-N-[(2-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107420521
5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61299692
5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide
CID 64916624
5-bromo-2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102906621
5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide
CID 115569034

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-hydrazinylpyridine-3-sulfonamide (CID 63683555) is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-hydrazinylpyridine-3-sulfonamide is NNc1ncc(Br)cc1S(=O)(=O)NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-hydrazinylpyridine-3-sulfonamide?
The InChIKey is LAHUARSCJRAQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2S/c14-11-5-12(13(18-15)16-7-11)21(19,20)17-6-10-4-8-1-2-9(10)3-8/h5,7-10,17H,1-4,6,15H2,(H,16,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-hydrazinylpyridine-3-sulfonamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-hydrazinylpyridine-3-sulfonamide has a molecular weight of 375.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 63683555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).