methyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate

C9H8Cl3NO4S — CID 43624222

IUPACmethyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl3NO4S/c1-17-8(14)4-13-18(15,16)9-6(11)2-5(10)3-7(9)12/h2-3,13H,4H2,1H3
InChIKeyZYJBXYJAKMFFTJ-UHFFFAOYSA-N
MW332.59 g/mol
LogP2.10
Rot. Bonds4

About methyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate

methyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate (PubChem CID 43624222) has the molecular formula C9H8Cl3NO4S and a molecular weight of 332.59 g/mol. Its IUPAC name is methyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate
PubChem CID43624222
Molecular FormulaC9H8Cl3NO4S
Molecular Weight332.59 g/mol
Exact Mass330.92
IUPAC Namemethyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl3NO4S/c1-17-8(14)4-13-18(15,16)9-6(11)2-5(10)3-7(9)12/h2-3,13H,4H2,1H3
InChIKeyZYJBXYJAKMFFTJ-UHFFFAOYSA-N
XLogP2.10
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.59
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate
CID 43257166
methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate
CID 43404992
2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616458
methyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 43423225
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
CID 64624792
2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039704
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]acetate
CID 24670687
2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide
CID 90737311
2,4,6-trichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43501855
methyl 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]acetate
CID 103077167
2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836427
2,4,6-trichloro-N-prop-2-enylbenzenesulfonamide
CID 61060580

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate (CID 43624222) is methyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate is COC(=O)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of methyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate?
The InChIKey is ZYJBXYJAKMFFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3NO4S/c1-17-8(14)4-13-18(15,16)9-6(11)2-5(10)3-7(9)12/h2-3,13H,4H2,1H3.
What are the key properties of methyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate?
methyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate has a molecular weight of 332.59 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 43624222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).