4-dimethoxyphosphinothioyloxybenzenesulfonamide

C8H12NO5PS2 — CID 8293

💊View drug profile → cythioate
IUPAC4-dimethoxyphosphinothioyloxybenzenesulfonamide
SMILESCOP(=S)(OC)Oc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11)
InChIKeyBSBSDQUZDZXGFN-UHFFFAOYSA-N
MW297.29 g/mol
LogP1.23
Rot. Bonds5

About 4-dimethoxyphosphinothioyloxybenzenesulfonamide

4-dimethoxyphosphinothioyloxybenzenesulfonamide (PubChem CID 8293) has the molecular formula C8H12NO5PS2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 4-dimethoxyphosphinothioyloxybenzenesulfonamide.

Molecular Properties

Compound Name4-dimethoxyphosphinothioyloxybenzenesulfonamide
PubChem CID8293
Molecular FormulaC8H12NO5PS2
Molecular Weight297.29 g/mol
Exact Mass296.99
IUPAC Name4-dimethoxyphosphinothioyloxybenzenesulfonamide
SMILESCOP(=S)(OC)Oc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11)
InChIKeyBSBSDQUZDZXGFN-UHFFFAOYSA-N
XLogP1.23
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Famphur
CID 5859
Fensulfothion
CID 8292
Fensulfothion oxon sulfone
CID 80214
Fensulfothion sulfone
CID 26595
Phenyl-(4-sulfamoylphenoxy)phosphinic acid
CID 146160385
4-[Phenyl(prop-2-ynoxy)phosphoryl]oxybenzenesulfonamide
CID 155541807
Kaya-ace
CID 200999
Famphur oxon
CID 70399
4-[2-Methoxyethoxy(phenyl)phosphoryl]oxybenzenesulfonamide
CID 155511075
4-[Phenoxy(phenyl)phosphoryl]oxybenzenesulfonamide
CID 155518220
4-[Phenyl(propan-2-yloxy)phosphoryl]oxybenzenesulfonamide
CID 155518510
4-[Phenyl(prop-2-ynoxy)phosphoryl]oxybenzenesulfonamide
CID 155519248

Frequently Asked Questions

What is the IUPAC name of 4-dimethoxyphosphinothioyloxybenzenesulfonamide?
The IUPAC name of 4-dimethoxyphosphinothioyloxybenzenesulfonamide (CID 8293) is 4-dimethoxyphosphinothioyloxybenzenesulfonamide.
What is the SMILES notation for 4-dimethoxyphosphinothioyloxybenzenesulfonamide?
The canonical SMILES for 4-dimethoxyphosphinothioyloxybenzenesulfonamide is COP(=S)(OC)Oc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-dimethoxyphosphinothioyloxybenzenesulfonamide?
The InChIKey is BSBSDQUZDZXGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11).
What are the key properties of 4-dimethoxyphosphinothioyloxybenzenesulfonamide?
4-dimethoxyphosphinothioyloxybenzenesulfonamide has a molecular weight of 297.29 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethoxyphosphinothioyloxybenzenesulfonamide is sourced from PubChem (CID 8293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).