5-bromo-N-(3,3-dimethylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide

C12H19BrN4O2S — CID 114548138

IUPAC5-bromo-N-(3,3-dimethylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2cc(Br)cnc2NN)C1
InChIInChI=1S/C12H19BrN4O2S/c1-12(2)4-3-9(6-12)17-20(18,19)10-5-8(13)7-15-11(10)16-14/h5,7,9,17H,3-4,6,14H2,1-2H3,(H,15,16)
InChIKeyJERSVECRYIFBIT-UHFFFAOYSA-N
MW363.28 g/mol
LogP1.99
Rot. Bonds4

About 5-bromo-N-(3,3-dimethylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide

5-bromo-N-(3,3-dimethylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide (PubChem CID 114548138) has the molecular formula C12H19BrN4O2S and a molecular weight of 363.28 g/mol. Its IUPAC name is 5-bromo-N-(3,3-dimethylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3,3-dimethylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide
PubChem CID114548138
Molecular FormulaC12H19BrN4O2S
Molecular Weight363.28 g/mol
Exact Mass362.04
IUPAC Name5-bromo-N-(3,3-dimethylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide
SMILESCC1(C)CCC(NS(=O)(=O)c2cc(Br)cnc2NN)C1
InChIInChI=1S/C12H19BrN4O2S/c1-12(2)4-3-9(6-12)17-20(18,19)10-5-8(13)7-15-11(10)16-14/h5,7,9,17H,3-4,6,14H2,1-2H3,(H,15,16)
InChIKeyJERSVECRYIFBIT-UHFFFAOYSA-N
XLogP1.99
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 51.99
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-(3,3-dimethylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(3,3-dimethylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide (CID 114548138) is 5-bromo-N-(3,3-dimethylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3,3-dimethylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(3,3-dimethylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide is CC1(C)CCC(NS(=O)(=O)c2cc(Br)cnc2NN)C1.
What is the InChIKey of 5-bromo-N-(3,3-dimethylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide?
The InChIKey is JERSVECRYIFBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O2S/c1-12(2)4-3-9(6-12)17-20(18,19)10-5-8(13)7-15-11(10)16-14/h5,7,9,17H,3-4,6,14H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-N-(3,3-dimethylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide?
5-bromo-N-(3,3-dimethylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide has a molecular weight of 363.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,3-dimethylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 114548138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).