N-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide

C13H17ClN2O5S2 — CID 113152413

IUPACN-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H17ClN2O5S2/c1-22(18,19)16(12-5-6-23(20,21)9-12)8-13(17)15-11-4-2-3-10(14)7-11/h2-4,7,12H,5-6,8-9H2,1H3,(H,15,17)
InChIKeyLCZPXMZTMBXLMG-UHFFFAOYSA-N
MW380.88 g/mol
LogP0.73
Rot. Bonds5

About N-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide

N-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide (PubChem CID 113152413) has the molecular formula C13H17ClN2O5S2 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
PubChem CID113152413
Molecular FormulaC13H17ClN2O5S2
Molecular Weight380.88 g/mol
Exact Mass380.03
IUPAC NameN-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H17ClN2O5S2/c1-22(18,19)16(12-5-6-23(20,21)9-12)8-13(17)15-11-4-2-3-10(14)7-11/h2-4,7,12H,5-6,8-9H2,1H3,(H,15,17)
InChIKeyLCZPXMZTMBXLMG-UHFFFAOYSA-N
XLogP0.73
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide 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

2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide
CID 113152393
N-(3-chlorophenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-ethylpropanediamide
CID 108950152
3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-phenylpropanamide
CID 113140540
2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(2-ethylphenyl)acetamide
CID 113152403
N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
CID 113152434
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide
CID 113165079
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(3-methoxyphenyl)acetamide
CID 51182938
2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
2-[tert-butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)acetamide
CID 113152943
methyl 3-[[2-[cycloheptyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 113153154
N-(3-chlorophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1325797
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9438095

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide (CID 113152413) is N-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide is CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide?
The InChIKey is LCZPXMZTMBXLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O5S2/c1-22(18,19)16(12-5-6-23(20,21)9-12)8-13(17)15-11-4-2-3-10(14)7-11/h2-4,7,12H,5-6,8-9H2,1H3,(H,15,17).
What are the key properties of N-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide?
N-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide has a molecular weight of 380.88 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide is sourced from PubChem (CID 113152413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).