N-diethoxyphosphinothioyl-N-methylbenzenesulfonamide

C11H18NO4PS2 — CID 54452615

IUPACN-diethoxyphosphinothioyl-N-methylbenzenesulfonamide
SMILESCCOP(=S)(OCC)N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H18NO4PS2/c1-4-15-17(18,16-5-2)12(3)19(13,14)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
InChIKeyWVZPHNLULPMAME-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.60
Rot. Bonds7

About N-diethoxyphosphinothioyl-N-methylbenzenesulfonamide

N-diethoxyphosphinothioyl-N-methylbenzenesulfonamide (PubChem CID 54452615) has the molecular formula C11H18NO4PS2 and a molecular weight of 323.38 g/mol. Its IUPAC name is N-diethoxyphosphinothioyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-diethoxyphosphinothioyl-N-methylbenzenesulfonamide
PubChem CID54452615
Molecular FormulaC11H18NO4PS2
Molecular Weight323.38 g/mol
Exact Mass323.04
IUPAC NameN-diethoxyphosphinothioyl-N-methylbenzenesulfonamide
SMILESCCOP(=S)(OCC)N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H18NO4PS2/c1-4-15-17(18,16-5-2)12(3)19(13,14)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3
InChIKeyWVZPHNLULPMAME-UHFFFAOYSA-N
XLogP2.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-diethoxyphosphinothioyl-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-diethoxyphosphoryl-N-(1,2,2-trichloroethenyl)benzenesulfonamide
CID 11247240
ethyl (1Z)-N-(benzenesulfonyl)-N-methylethanehydrazonate
CID 71813563
N,N-dipropylbenzenesulfonamide
CID 4053954
N-(bromomethyl)-N-methylbenzenesulfonamide
CID 66916911
N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78925058
N'-(benzenesulfonyl)-N'-methylbutanediamide
CID 101154406
N-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 123917247
N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 60763176
N,N',N'-triethylbenzenesulfonohydrazide
CID 173118176
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428
N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60762861
N-[(1R,2R)-2-bromo-1-ethoxy-2-phenylethyl]-N-methylbenzenesulfonamide
CID 102197667

Frequently Asked Questions

What is the IUPAC name of N-diethoxyphosphinothioyl-N-methylbenzenesulfonamide?
The IUPAC name of N-diethoxyphosphinothioyl-N-methylbenzenesulfonamide (CID 54452615) is N-diethoxyphosphinothioyl-N-methylbenzenesulfonamide.
What is the SMILES notation for N-diethoxyphosphinothioyl-N-methylbenzenesulfonamide?
The canonical SMILES for N-diethoxyphosphinothioyl-N-methylbenzenesulfonamide is CCOP(=S)(OCC)N(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-diethoxyphosphinothioyl-N-methylbenzenesulfonamide?
The InChIKey is WVZPHNLULPMAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO4PS2/c1-4-15-17(18,16-5-2)12(3)19(13,14)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3.
What are the key properties of N-diethoxyphosphinothioyl-N-methylbenzenesulfonamide?
N-diethoxyphosphinothioyl-N-methylbenzenesulfonamide has a molecular weight of 323.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphinothioyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 54452615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).