4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide

C10H16NO5PS2 — CID 5859

IUPAC4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide
SMILESCOP(=S)(OC)Oc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3
InChIKeyJISACBWYRJHSMG-UHFFFAOYSA-N
MW325.35 g/mol
LogP1.83
Rot. Bonds6

About 4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide

4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide (PubChem CID 5859) has the molecular formula C10H16NO5PS2 and a molecular weight of 325.35 g/mol. Its IUPAC name is 4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide
PubChem CID5859
Molecular FormulaC10H16NO5PS2
Molecular Weight325.35 g/mol
Exact Mass325.02
IUPAC Name4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide
SMILESCOP(=S)(OC)Oc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3
InChIKeyJISACBWYRJHSMG-UHFFFAOYSA-N
XLogP1.83
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide (CID 5859) is 4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide is COP(=S)(OC)Oc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is JISACBWYRJHSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3.
What are the key properties of 4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide?
4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 325.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 5859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).