methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate

C9H9Cl2NO4S — CID 43404992

IUPACmethyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H9Cl2NO4S/c1-16-9(13)5-12-17(14,15)8-3-6(10)2-7(11)4-8/h2-4,12H,5H2,1H3
InChIKeyXRDWAEALLKEGST-UHFFFAOYSA-N
MW298.15 g/mol
LogP1.44
Rot. Bonds4

About methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate

methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate (PubChem CID 43404992) has the molecular formula C9H9Cl2NO4S and a molecular weight of 298.15 g/mol. Its IUPAC name is methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate
PubChem CID43404992
Molecular FormulaC9H9Cl2NO4S
Molecular Weight298.15 g/mol
Exact Mass296.96
IUPAC Namemethyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate
SMILESCOC(=O)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H9Cl2NO4S/c1-16-9(13)5-12-17(14,15)8-3-6(10)2-7(11)4-8/h2-4,12H,5H2,1H3
InChIKeyXRDWAEALLKEGST-UHFFFAOYSA-N
XLogP1.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(3,5-dichlorophenyl)sulfonylamino]propanoate
CID 3874327
methyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate
CID 43624222
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
CID 64624792
3,5-dichloro-N-(2-chloroprop-2-enyl)benzenesulfonamide
CID 115638542
methyl 2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]acetate
CID 43423382
methyl 2-[(3-bromo-5-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 43423225
methyl 2-[(4-bromophenyl)sulfonylamino]acetate
CID 669307
methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate
CID 43257166
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 3747735
methyl 2-(3,5-dichloroanilino)acetate
CID 28576225
methyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate
CID 8501036
3-[(3,5-dichlorophenyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427533

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate?
The IUPAC name of methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate (CID 43404992) is methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate?
The canonical SMILES for methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate is COC(=O)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate?
The InChIKey is XRDWAEALLKEGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO4S/c1-16-9(13)5-12-17(14,15)8-3-6(10)2-7(11)4-8/h2-4,12H,5H2,1H3.
What are the key properties of methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate?
methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate has a molecular weight of 298.15 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 43404992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).