N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)acetamide

C12H15Cl2N3O4S — CID 142627827

IUPACN-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)acetamide
SMILESCON=C(CNC(=O)CNS(C)(=O)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2N3O4S/c1-21-17-11(9-4-3-8(13)5-10(9)14)6-15-12(18)7-16-22(2,19)20/h3-5,16H,6-7H2,1-2H3,(H,15,18)
InChIKeyQWEWNZPAVYVNSE-UHFFFAOYSA-N
MW368.24 g/mol
LogP1.01
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)acetamide

N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)acetamide (PubChem CID 142627827) has the molecular formula C12H15Cl2N3O4S and a molecular weight of 368.24 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)acetamide
PubChem CID142627827
Molecular FormulaC12H15Cl2N3O4S
Molecular Weight368.24 g/mol
Exact Mass367.02
IUPAC NameN-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)acetamide
SMILESCON=C(CNC(=O)CNS(C)(=O)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2N3O4S/c1-21-17-11(9-4-3-8(13)5-10(9)14)6-15-12(18)7-16-22(2,19)20/h3-5,16H,6-7H2,1-2H3,(H,15,18)
InChIKeyQWEWNZPAVYVNSE-UHFFFAOYSA-N
XLogP1.01
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)acetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)acetamide (CID 142627827) is N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)acetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)acetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)acetamide is CON=C(CNC(=O)CNS(C)(=O)=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)acetamide?
The InChIKey is QWEWNZPAVYVNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O4S/c1-21-17-11(9-4-3-8(13)5-10(9)14)6-15-12(18)7-16-22(2,19)20/h3-5,16H,6-7H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)acetamide?
N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)acetamide has a molecular weight of 368.24 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)acetamide is sourced from PubChem (CID 142627827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).