N-methyl-N-methylsulfonyl-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide

C9H9Cl3N2O4S — CID 88745449

IUPACN-methyl-N-methylsulfonyl-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
SMILESCN(C(=O)COc1nc(Cl)c(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C9H9Cl3N2O4S/c1-14(19(2,16)17)7(15)4-18-9-6(11)3-5(10)8(12)13-9/h3H,4H2,1-2H3
InChIKeyFOICCFJSDMSEAA-UHFFFAOYSA-N
MW347.61 g/mol
LogP1.84
Rot. Bonds4

About N-methyl-N-methylsulfonyl-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide

N-methyl-N-methylsulfonyl-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide (PubChem CID 88745449) has the molecular formula C9H9Cl3N2O4S and a molecular weight of 347.61 g/mol. Its IUPAC name is N-methyl-N-methylsulfonyl-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-methyl-N-methylsulfonyl-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
PubChem CID88745449
Molecular FormulaC9H9Cl3N2O4S
Molecular Weight347.61 g/mol
Exact Mass345.93
IUPAC NameN-methyl-N-methylsulfonyl-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
SMILESCN(C(=O)COc1nc(Cl)c(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C9H9Cl3N2O4S/c1-14(19(2,16)17)7(15)4-18-9-6(11)3-5(10)8(12)13-9/h3H,4H2,1-2H3
InChIKeyFOICCFJSDMSEAA-UHFFFAOYSA-N
XLogP1.84
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.61
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-methylsulfonyl-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The IUPAC name of N-methyl-N-methylsulfonyl-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide (CID 88745449) is N-methyl-N-methylsulfonyl-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-methyl-N-methylsulfonyl-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The canonical SMILES for N-methyl-N-methylsulfonyl-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide is CN(C(=O)COc1nc(Cl)c(Cl)cc1Cl)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-methylsulfonyl-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
The InChIKey is FOICCFJSDMSEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl3N2O4S/c1-14(19(2,16)17)7(15)4-18-9-6(11)3-5(10)8(12)13-9/h3H,4H2,1-2H3.
What are the key properties of N-methyl-N-methylsulfonyl-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide?
N-methyl-N-methylsulfonyl-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide has a molecular weight of 347.61 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-methylsulfonyl-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide is sourced from PubChem (CID 88745449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).