(1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate

C11H12Cl2N2O5S — CID 46794901

IUPAC(1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
SMILESCC(OC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(N)=O
InChIInChI=1S/C11H12Cl2N2O5S/c1-6(11(14)17)20-10(16)5-15-21(18,19)7-2-3-8(12)9(13)4-7/h2-4,6,15H,5H2,1H3,(H2,14,17)
InChIKeyOBZLUPWJZPVDNF-UHFFFAOYSA-N
MW355.20 g/mol
LogP0.69
Rot. Bonds6

About (1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate

(1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate (PubChem CID 46794901) has the molecular formula C11H12Cl2N2O5S and a molecular weight of 355.20 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
PubChem CID46794901
Molecular FormulaC11H12Cl2N2O5S
Molecular Weight355.20 g/mol
Exact Mass353.98
IUPAC Name(1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
SMILESCC(OC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(N)=O
InChIInChI=1S/C11H12Cl2N2O5S/c1-6(11(14)17)20-10(16)5-15-21(18,19)7-2-3-8(12)9(13)4-7/h2-4,6,15H,5H2,1H3,(H2,14,17)
InChIKeyOBZLUPWJZPVDNF-UHFFFAOYSA-N
XLogP0.69
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961629
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 55324559
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 46621713
(4-bromophenyl)methyl 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 1218601
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 55324334
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 42969466
[(2S)-1-amino-1-oxopropan-2-yl] 4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]benzoate
CID 7898094
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 35986124
[(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414439
[2-(N-methylanilino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 46794889
propan-2-yl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 43010505
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide
CID 112991971

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate (CID 46794901) is (1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate is CC(OC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(N)=O.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The InChIKey is OBZLUPWJZPVDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O5S/c1-6(11(14)17)20-10(16)5-15-21(18,19)7-2-3-8(12)9(13)4-7/h2-4,6,15H,5H2,1H3,(H2,14,17).
What are the key properties of (1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
(1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate has a molecular weight of 355.20 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 46794901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).