N-(2,4-dichlorophenyl)-N-diethoxyphosphinothioylmethanesulfonamide

C11H16Cl2NO4PS2 — CID 21311980

IUPACN-(2,4-dichlorophenyl)-N-diethoxyphosphinothioylmethanesulfonamide
SMILESCCOP(=S)(OCC)N(c1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C11H16Cl2NO4PS2/c1-4-17-19(20,18-5-2)14(21(3,15)16)11-7-6-9(12)8-10(11)13/h6-8H,4-5H2,1-3H3
InChIKeyAZCLKEDJJCBPMX-UHFFFAOYSA-N
MW392.27 g/mol
LogP4.06
Rot. Bonds7

About N-(2,4-dichlorophenyl)-N-diethoxyphosphinothioylmethanesulfonamide

N-(2,4-dichlorophenyl)-N-diethoxyphosphinothioylmethanesulfonamide (PubChem CID 21311980) has the molecular formula C11H16Cl2NO4PS2 and a molecular weight of 392.27 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-N-diethoxyphosphinothioylmethanesulfonamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-N-diethoxyphosphinothioylmethanesulfonamide
PubChem CID21311980
Molecular FormulaC11H16Cl2NO4PS2
Molecular Weight392.27 g/mol
Exact Mass390.96
IUPAC NameN-(2,4-dichlorophenyl)-N-diethoxyphosphinothioylmethanesulfonamide
SMILESCCOP(=S)(OCC)N(c1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C11H16Cl2NO4PS2/c1-4-17-19(20,18-5-2)14(21(3,15)16)11-7-6-9(12)8-10(11)13/h6-8H,4-5H2,1-3H3
InChIKeyAZCLKEDJJCBPMX-UHFFFAOYSA-N
XLogP4.06
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.27
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide
CID 113071964
(2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane
CID 100976953
(2,5-dichlorophenyl)-ethoxyphosphinic acid
CID 165355272
ethyl 2-(2,4-dichloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50892167
2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene
CID 13392474
2-amino-N-(2,4-dichlorophenyl)-N-ethylacetamide
CID 28794920
ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50892222
2-[(4-chlorophenyl)methyl-[2-(2,4-dichloro-N-methylsulfonylanilino)acetyl]amino]-3-phenyl-N-propylpropanamide
CID 132637509
(2,4-dichlorophenyl)-imino-methyl-oxo-λ6-sulfane
CID 125424590
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2,4-dichloro-N-methylsulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 125104924
(2S)-N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)methyl-[2-(2,4-dichloro-N-methylsulfonylanilino)acetyl]amino]butanamide
CID 125095790
N-[2-(aminomethyl)-4-chlorophenyl]-N-ethylmethanesulfonamide;hydrochloride
CID 138677601

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-N-diethoxyphosphinothioylmethanesulfonamide?
The IUPAC name of N-(2,4-dichlorophenyl)-N-diethoxyphosphinothioylmethanesulfonamide (CID 21311980) is N-(2,4-dichlorophenyl)-N-diethoxyphosphinothioylmethanesulfonamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-N-diethoxyphosphinothioylmethanesulfonamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-N-diethoxyphosphinothioylmethanesulfonamide is CCOP(=S)(OCC)N(c1ccc(Cl)cc1Cl)S(C)(=O)=O.
What is the InChIKey of N-(2,4-dichlorophenyl)-N-diethoxyphosphinothioylmethanesulfonamide?
The InChIKey is AZCLKEDJJCBPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2NO4PS2/c1-4-17-19(20,18-5-2)14(21(3,15)16)11-7-6-9(12)8-10(11)13/h6-8H,4-5H2,1-3H3.
What are the key properties of N-(2,4-dichlorophenyl)-N-diethoxyphosphinothioylmethanesulfonamide?
N-(2,4-dichlorophenyl)-N-diethoxyphosphinothioylmethanesulfonamide has a molecular weight of 392.27 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-N-diethoxyphosphinothioylmethanesulfonamide is sourced from PubChem (CID 21311980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).