5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide

C13H23BrN4O2S — CID 115569034

IUPAC5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C13H23BrN4O2S/c1-2-3-4-5-6-7-8-17-21(19,20)12-9-11(14)10-16-13(12)18-15/h9-10,17H,2-8,15H2,1H3,(H,16,18)
InChIKeyYTPCLHZZUXOMSS-UHFFFAOYSA-N
MW379.32 g/mol
LogP2.77
Rot. Bonds10

About 5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide

5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide (PubChem CID 115569034) has the molecular formula C13H23BrN4O2S and a molecular weight of 379.32 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide
PubChem CID115569034
Molecular FormulaC13H23BrN4O2S
Molecular Weight379.32 g/mol
Exact Mass378.07
IUPAC Name5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide
SMILESCCCCCCCCNS(=O)(=O)c1cc(Br)cnc1NN
InChIInChI=1S/C13H23BrN4O2S/c1-2-3-4-5-6-7-8-17-21(19,20)12-9-11(14)10-16-13(12)18-15/h9-10,17H,2-8,15H2,1H3,(H,16,18)
InChIKeyYTPCLHZZUXOMSS-UHFFFAOYSA-N
XLogP2.77
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(4-Methyl-piperazine-1-sulfonyl)-pyridin-2-yl]-hydrazine
CID 2461353
N,N-diethyl-6-hydrazinylpyridine-3-sulfonamide
CID 3863748
N-ethyl-6-hydrazinyl-N-phenylpyridine-3-sulfonamide
CID 2095679
2-Hydrazinyl-5-(piperidine-1-sulfonyl)pyridine
CID 2120283
6-hydrazinyl-N,N-bis(propan-2-yl)pyridine-3-sulfonamide
CID 2120285
2-amino-5-bromo-N-(2-phenylethyl)pyridine-3-sulfonamide
CID 6623748
3-(Azepan-1-ylsulfonyl)-5-bromopyridin-2-amine
CID 22515856
6-Hydrazinylpyridine-3-sulfonamide
CID 12096590
5-Bromo-3-(4-methylpiperazin-1-ylsulfonyl)pyridin-2-amine
CID 22515880
2-amino-5-bromo-N-butyl-pyridine-3-sulfonamide
CID 22515931
2-amino-5-bromo-N-[2-(4-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 22515881
2-amino-5-bromo-N-cyclohexylpyridine-3-sulfonamide
CID 22515840

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide (CID 115569034) is 5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide is CCCCCCCCNS(=O)(=O)c1cc(Br)cnc1NN.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide?
The InChIKey is YTPCLHZZUXOMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN4O2S/c1-2-3-4-5-6-7-8-17-21(19,20)12-9-11(14)10-16-13(12)18-15/h9-10,17H,2-8,15H2,1H3,(H,16,18).
What are the key properties of 5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide?
5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide has a molecular weight of 379.32 g/mol, XLogP of 2.77, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide is sourced from PubChem (CID 115569034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).