4-dimethoxyphosphinothioyloxy-N,2-dimethylbenzenesulfonamide

C10H16NO5PS2 — CID 165340894

IUPAC4-dimethoxyphosphinothioyloxy-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(OP(=S)(OC)OC)cc1C
InChIInChI=1S/C10H16NO5PS2/c1-8-7-9(16-17(18,14-3)15-4)5-6-10(8)19(12,13)11-2/h5-7,11H,1-4H3
InChIKeyHMIOHDFYYUOWRL-UHFFFAOYSA-N
MW325.35 g/mol
LogP1.80
Rot. Bonds6

About 4-dimethoxyphosphinothioyloxy-N,2-dimethylbenzenesulfonamide

4-dimethoxyphosphinothioyloxy-N,2-dimethylbenzenesulfonamide (PubChem CID 165340894) has the molecular formula C10H16NO5PS2 and a molecular weight of 325.35 g/mol. Its IUPAC name is 4-dimethoxyphosphinothioyloxy-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-dimethoxyphosphinothioyloxy-N,2-dimethylbenzenesulfonamide
PubChem CID165340894
Molecular FormulaC10H16NO5PS2
Molecular Weight325.35 g/mol
Exact Mass325.02
IUPAC Name4-dimethoxyphosphinothioyloxy-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(OP(=S)(OC)OC)cc1C
InChIInChI=1S/C10H16NO5PS2/c1-8-7-9(16-17(18,14-3)15-4)5-6-10(8)19(12,13)11-2/h5-7,11H,1-4H3
InChIKeyHMIOHDFYYUOWRL-UHFFFAOYSA-N
XLogP1.80
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.80
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

(3,4-dimethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
CID 23525793
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N,2-dimethyl-4-propan-2-ylbenzenesulfonamide
CID 58551120
N,3-dimethylnaphthalene-2-sulfonamide
CID 68839687
N,2-dimethyl-4-nitrobenzenesulfonamide
CID 37477651
2-amino-4-(3,5-dimethylphenoxy)-N-methylbenzenesulfonamide
CID 80641737
2-methoxy-N,4,5-trimethylbenzenesulfonamide
CID 27243257
N-(2-methoxyethyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112991177
N-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113101002
4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
CID 110776438
N,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 151988900
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113103104

Frequently Asked Questions

What is the IUPAC name of 4-dimethoxyphosphinothioyloxy-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 4-dimethoxyphosphinothioyloxy-N,2-dimethylbenzenesulfonamide (CID 165340894) is 4-dimethoxyphosphinothioyloxy-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-dimethoxyphosphinothioyloxy-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 4-dimethoxyphosphinothioyloxy-N,2-dimethylbenzenesulfonamide is CNS(=O)(=O)c1ccc(OP(=S)(OC)OC)cc1C.
What is the InChIKey of 4-dimethoxyphosphinothioyloxy-N,2-dimethylbenzenesulfonamide?
The InChIKey is HMIOHDFYYUOWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO5PS2/c1-8-7-9(16-17(18,14-3)15-4)5-6-10(8)19(12,13)11-2/h5-7,11H,1-4H3.
What are the key properties of 4-dimethoxyphosphinothioyloxy-N,2-dimethylbenzenesulfonamide?
4-dimethoxyphosphinothioyloxy-N,2-dimethylbenzenesulfonamide has a molecular weight of 325.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethoxyphosphinothioyloxy-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 165340894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).