N-[(4-sulfamoylphenyl)methyl]-2-(2,4,6-trichlorophenoxy)acetamide

C15H13Cl3N2O4S — CID 35292285

IUPACN-[(4-sulfamoylphenyl)methyl]-2-(2,4,6-trichlorophenoxy)acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)COc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl3N2O4S/c16-10-5-12(17)15(13(18)6-10)24-8-14(21)20-7-9-1-3-11(4-2-9)25(19,22)23/h1-6H,7-8H2,(H,20,21)(H2,19,22,23)
InChIKeyZTPOYIXIKNRNQD-UHFFFAOYSA-N
MW423.71 g/mol
LogP2.99
Rot. Bonds6

About N-[(4-sulfamoylphenyl)methyl]-2-(2,4,6-trichlorophenoxy)acetamide

N-[(4-sulfamoylphenyl)methyl]-2-(2,4,6-trichlorophenoxy)acetamide (PubChem CID 35292285) has the molecular formula C15H13Cl3N2O4S and a molecular weight of 423.71 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]-2-(2,4,6-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]-2-(2,4,6-trichlorophenoxy)acetamide
PubChem CID35292285
Molecular FormulaC15H13Cl3N2O4S
Molecular Weight423.71 g/mol
Exact Mass421.97
IUPAC NameN-[(4-sulfamoylphenyl)methyl]-2-(2,4,6-trichlorophenoxy)acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)COc2c(Cl)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl3N2O4S/c16-10-5-12(17)15(13(18)6-10)24-8-14(21)20-7-9-1-3-11(4-2-9)25(19,22)23/h1-6H,7-8H2,(H,20,21)(H2,19,22,23)
InChIKeyZTPOYIXIKNRNQD-UHFFFAOYSA-N
XLogP2.99
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.71
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2627423
2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2435086
N-prop-2-ynyl-2-(2,4,6-trichlorophenoxy)acetamide
CID 79502063
4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 43216964
2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2683015
N-cyclopropyl-2-(2,6-dichloro-4-sulfamoylphenoxy)acetamide
CID 82914772
3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 50971111
2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28562504
4-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17294143
2-amino-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]acetamide
CID 10756624
2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 84580537
2-(4-chloro-2-methylphenoxy)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 31916474

Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]-2-(2,4,6-trichlorophenoxy)acetamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]-2-(2,4,6-trichlorophenoxy)acetamide (CID 35292285) is N-[(4-sulfamoylphenyl)methyl]-2-(2,4,6-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]-2-(2,4,6-trichlorophenoxy)acetamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]-2-(2,4,6-trichlorophenoxy)acetamide is NS(=O)(=O)c1ccc(CNC(=O)COc2c(Cl)cc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]-2-(2,4,6-trichlorophenoxy)acetamide?
The InChIKey is ZTPOYIXIKNRNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O4S/c16-10-5-12(17)15(13(18)6-10)24-8-14(21)20-7-9-1-3-11(4-2-9)25(19,22)23/h1-6H,7-8H2,(H,20,21)(H2,19,22,23).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]-2-(2,4,6-trichlorophenoxy)acetamide?
N-[(4-sulfamoylphenyl)methyl]-2-(2,4,6-trichlorophenoxy)acetamide has a molecular weight of 423.71 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]-2-(2,4,6-trichlorophenoxy)acetamide is sourced from PubChem (CID 35292285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).