5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide

C13H21BrN4O2S — CID 64916624

IUPAC5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cc(Br)cnc2NN)C1C
InChIInChI=1S/C13H21BrN4O2S/c1-3-9-4-5-11(8(9)2)18-21(19,20)12-6-10(14)7-16-13(12)17-15/h6-9,11,18H,3-5,15H2,1-2H3,(H,16,17)
InChIKeyLPBGXJOMXNVLIQ-UHFFFAOYSA-N
MW377.31 g/mol
LogP2.23
Rot. Bonds5

About 5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide

5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide (PubChem CID 64916624) has the molecular formula C13H21BrN4O2S and a molecular weight of 377.31 g/mol. Its IUPAC name is 5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide
PubChem CID64916624
Molecular FormulaC13H21BrN4O2S
Molecular Weight377.31 g/mol
Exact Mass376.06
IUPAC Name5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cc(Br)cnc2NN)C1C
InChIInChI=1S/C13H21BrN4O2S/c1-3-9-4-5-11(8(9)2)18-21(19,20)12-6-10(14)7-16-13(12)17-15/h6-9,11,18H,3-5,15H2,1-2H3,(H,16,17)
InChIKeyLPBGXJOMXNVLIQ-UHFFFAOYSA-N
XLogP2.23
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 52.23
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide (CID 64916624) is 5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide is CCC1CCC(NS(=O)(=O)c2cc(Br)cnc2NN)C1C.
What is the InChIKey of 5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide?
The InChIKey is LPBGXJOMXNVLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O2S/c1-3-9-4-5-11(8(9)2)18-21(19,20)12-6-10(14)7-16-13(12)17-15/h6-9,11,18H,3-5,15H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide?
5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide has a molecular weight of 377.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 64916624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).