N-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide

C10H15N3O4S2 — CID 43454796

IUPACN-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide
SMILESNNc1ccccc1S(=O)(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H15N3O4S2/c11-12-9-3-1-2-4-10(9)19(16,17)13-8-5-6-18(14,15)7-8/h1-4,8,12-13H,5-7,11H2
InChIKeyJILMKROMZOHXGE-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.56
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide

N-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide (PubChem CID 43454796) has the molecular formula C10H15N3O4S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide
PubChem CID43454796
Molecular FormulaC10H15N3O4S2
Molecular Weight305.38 g/mol
Exact Mass305.05
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide
SMILESNNc1ccccc1S(=O)(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H15N3O4S2/c11-12-9-3-1-2-4-10(9)19(16,17)13-8-5-6-18(14,15)7-8/h1-4,8,12-13H,5-7,11H2
InChIKeyJILMKROMZOHXGE-UHFFFAOYSA-N
XLogP-0.56
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-(1,1-dioxothian-3-yl)-2-hydrazinylbenzenesulfonamide
CID 63923756
N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide
CID 62162999
N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 2407943
2-(3-aminoprop-1-ynyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 60845506
2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide
CID 43258077
2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide
CID 43454539
N-[(3S)-1,1-dioxothiolan-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 7189339
N-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide
CID 110757609
5-bromo-N-(1,1-dioxothiolan-3-yl)-2-hydrazinylpyridine-3-sulfonamide
CID 61301424
N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303063
N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzenesulfonamide
CID 64922831
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide (CID 43454796) is N-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide is NNc1ccccc1S(=O)(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide?
The InChIKey is JILMKROMZOHXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S2/c11-12-9-3-1-2-4-10(9)19(16,17)13-8-5-6-18(14,15)7-8/h1-4,8,12-13H,5-7,11H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide?
N-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide has a molecular weight of 305.38 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 43454796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).