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

C11H17N3O4S2 — CID 63923756

IUPACN-(1,1-dioxothian-3-yl)-2-hydrazinylbenzenesulfonamide
SMILESNNc1ccccc1S(=O)(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C11H17N3O4S2/c12-13-10-5-1-2-6-11(10)20(17,18)14-9-4-3-7-19(15,16)8-9/h1-2,5-6,9,13-14H,3-4,7-8,12H2
InChIKeyGWDZNWHDBAFNDX-UHFFFAOYSA-N
MW319.41 g/mol
LogP-0.17
Rot. Bonds4

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

N-(1,1-dioxothian-3-yl)-2-hydrazinylbenzenesulfonamide (PubChem CID 63923756) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-2-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-2-hydrazinylbenzenesulfonamide
PubChem CID63923756
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC NameN-(1,1-dioxothian-3-yl)-2-hydrazinylbenzenesulfonamide
SMILESNNc1ccccc1S(=O)(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C11H17N3O4S2/c12-13-10-5-1-2-6-11(10)20(17,18)14-9-4-3-7-19(15,16)8-9/h1-2,5-6,9,13-14H,3-4,7-8,12H2
InChIKeyGWDZNWHDBAFNDX-UHFFFAOYSA-N
XLogP-0.17
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.17
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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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-2-hydrazinylbenzenesulfonamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-2-hydrazinylbenzenesulfonamide (CID 63923756) is N-(1,1-dioxothian-3-yl)-2-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-2-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-2-hydrazinylbenzenesulfonamide is NNc1ccccc1S(=O)(=O)NC1CCCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-2-hydrazinylbenzenesulfonamide?
The InChIKey is GWDZNWHDBAFNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c12-13-10-5-1-2-6-11(10)20(17,18)14-9-4-3-7-19(15,16)8-9/h1-2,5-6,9,13-14H,3-4,7-8,12H2.
What are the key properties of N-(1,1-dioxothian-3-yl)-2-hydrazinylbenzenesulfonamide?
N-(1,1-dioxothian-3-yl)-2-hydrazinylbenzenesulfonamide has a molecular weight of 319.41 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-2-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 63923756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).