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

C10H15BrN4O4S2 — CID 62133630

IUPAC5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-sulfonamide
SMILESNNc1ncc(Br)cc1S(=O)(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C10H15BrN4O4S2/c11-8-3-9(10(15-12)13-5-8)21(18,19)14-4-7-1-2-20(16,17)6-7/h3,5,7,14H,1-2,4,6,12H2,(H,13,15)
InChIKeyLKGFGSOZXBLRJA-UHFFFAOYSA-N
MW399.29 g/mol
LogP-0.16
Rot. Bonds5

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

5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-sulfonamide (PubChem CID 62133630) has the molecular formula C10H15BrN4O4S2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-sulfonamide
PubChem CID62133630
Molecular FormulaC10H15BrN4O4S2
Molecular Weight399.29 g/mol
Exact Mass397.97
IUPAC Name5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-sulfonamide
SMILESNNc1ncc(Br)cc1S(=O)(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C10H15BrN4O4S2/c11-8-3-9(10(15-12)13-5-8)21(18,19)14-4-7-1-2-20(16,17)6-7/h3,5,7,14H,1-2,4,6,12H2,(H,13,15)
InChIKeyLKGFGSOZXBLRJA-UHFFFAOYSA-N
XLogP-0.16
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 5-0.16
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-(1,1-dioxothiolan-3-yl)-2-hydrazinylpyridine-3-sulfonamide
CID 61301424
5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62235486
5-bromo-2-hydrazinyl-N-(thian-2-ylmethyl)pyridine-3-sulfonamide
CID 80599938
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-hydrazinylpyridine-3-sulfonamide
CID 63683555
3-amino-2-bromo-5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzenesulfonamide
CID 62955842
5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61298746
5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide
CID 62414810
5-bromo-N-[2-(dimethylamino)ethyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61299692
5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
CID 61298529
5-bromo-2-hydrazinyl-N-(1-methylcyclopentyl)pyridine-3-sulfonamide
CID 64687857
5-bromo-2-hydrazinyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102906621
[5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-pyridinyl]hydrazine
CID 61300085

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-sulfonamide (CID 62133630) is 5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-sulfonamide is NNc1ncc(Br)cc1S(=O)(=O)NCC1CCS(=O)(=O)C1.
What is the InChIKey of 5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-sulfonamide?
The InChIKey is LKGFGSOZXBLRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O4S2/c11-8-3-9(10(15-12)13-5-8)21(18,19)14-4-7-1-2-20(16,17)6-7/h3,5,7,14H,1-2,4,6,12H2,(H,13,15).
What are the key properties of 5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-sulfonamide?
5-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-hydrazinylpyridine-3-sulfonamide has a molecular weight of 399.29 g/mol, XLogP of -0.16, 5 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)methyl]-2-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 62133630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).