5-bromo-N-(1,1-dioxothiolan-3-yl)-2-hydrazinylpyridine-3-sulfonamide

C9H13BrN4O4S2 — CID 61301424

IUPAC5-bromo-N-(1,1-dioxothiolan-3-yl)-2-hydrazinylpyridine-3-sulfonamide
SMILESNNc1ncc(Br)cc1S(=O)(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C9H13BrN4O4S2/c10-6-3-8(9(13-11)12-4-6)20(17,18)14-7-1-2-19(15,16)5-7/h3-4,7,14H,1-2,5,11H2,(H,12,13)
InChIKeyKLBHTBHQJUAPTE-UHFFFAOYSA-N
MW385.27 g/mol
LogP-0.40
Rot. Bonds4

About 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-hydrazinylpyridine-3-sulfonamide

5-bromo-N-(1,1-dioxothiolan-3-yl)-2-hydrazinylpyridine-3-sulfonamide (PubChem CID 61301424) has the molecular formula C9H13BrN4O4S2 and a molecular weight of 385.27 g/mol. Its IUPAC name is 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1,1-dioxothiolan-3-yl)-2-hydrazinylpyridine-3-sulfonamide
PubChem CID61301424
Molecular FormulaC9H13BrN4O4S2
Molecular Weight385.27 g/mol
Exact Mass383.96
IUPAC Name5-bromo-N-(1,1-dioxothiolan-3-yl)-2-hydrazinylpyridine-3-sulfonamide
SMILESNNc1ncc(Br)cc1S(=O)(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C9H13BrN4O4S2/c10-6-3-8(9(13-11)12-4-6)20(17,18)14-7-1-2-19(15,16)5-7/h3-4,7,14H,1-2,5,11H2,(H,12,13)
InChIKeyKLBHTBHQJUAPTE-UHFFFAOYSA-N
XLogP-0.40
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide
CID 62414810
5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-sulfonamide
CID 62133630
5-bromo-2-hydrazinyl-N-(1-methylpiperidin-4-yl)pyridine-3-sulfonamide
CID 61299121
5-bromo-2-hydrazinyl-N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 61298927
5-bromo-N-(3,3-dimethylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide
CID 114548138
5-bromo-2-hydrazinyl-N-(3-methoxycyclobutyl)pyridine-3-sulfonamide
CID 114119962
5-bromo-3-chloro-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 103579980
5-bromo-N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinylpyridine-3-sulfonamide
CID 64916624
5-bromo-2-hydrazinyl-N-(1-methylcyclopentyl)pyridine-3-sulfonamide
CID 64687857
[5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-pyridinyl]hydrazine
CID 61300085
3-amino-5-bromo-N-(1,1-dioxothian-3-yl)-2-methylbenzenesulfonamide
CID 114379675
N-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide
CID 43454796

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-hydrazinylpyridine-3-sulfonamide (CID 61301424) is 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-hydrazinylpyridine-3-sulfonamide is NNc1ncc(Br)cc1S(=O)(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-hydrazinylpyridine-3-sulfonamide?
The InChIKey is KLBHTBHQJUAPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O4S2/c10-6-3-8(9(13-11)12-4-6)20(17,18)14-7-1-2-19(15,16)5-7/h3-4,7,14H,1-2,5,11H2,(H,12,13).
What are the key properties of 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-hydrazinylpyridine-3-sulfonamide?
5-bromo-N-(1,1-dioxothiolan-3-yl)-2-hydrazinylpyridine-3-sulfonamide has a molecular weight of 385.27 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,1-dioxothiolan-3-yl)-2-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 61301424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).