N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide

C11H11Cl2NO3S — CID 17466033

IUPACN-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H11Cl2NO3S/c12-9-2-1-8(5-10(9)13)14-11(15)7-3-4-18(16,17)6-7/h1-2,5,7H,3-4,6H2,(H,14,15)
InChIKeyVHJZVRGNPFFDOT-UHFFFAOYSA-N
MW308.19 g/mol
LogP2.37
Rot. Bonds2

About N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide

N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 17466033) has the molecular formula C11H11Cl2NO3S and a molecular weight of 308.19 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID17466033
Molecular FormulaC11H11Cl2NO3S
Molecular Weight308.19 g/mol
Exact Mass306.98
IUPAC NameN-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H11Cl2NO3S/c12-9-2-1-8(5-10(9)13)14-11(15)7-3-4-18(16,17)6-7/h1-2,5,7H,3-4,6H2,(H,14,15)
InChIKeyVHJZVRGNPFFDOT-UHFFFAOYSA-N
XLogP2.37
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide 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

N-(2-chloro-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide
CID 126816709
N-(3-acetamidophenyl)-1,1-dioxothiolane-3-carboxamide
CID 18089391
(3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide
CID 51463150
N-[4-(hydroxymethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 64793559
(3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 9081263
(3S)-N-(3-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 8871781
N-(3-amino-4-ethylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 62057642
(3S)-N-(1H-indazol-5-yl)-1,1-dioxothiolane-3-carboxamide
CID 97079601
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide
CID 75418385
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-1,1-dioxothiolane-3-carboxamide
CID 78868268
N-[3-fluoro-4-(trifluoromethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 126832675
1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide
CID 60674860

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide (CID 17466033) is N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is VHJZVRGNPFFDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3S/c12-9-2-1-8(5-10(9)13)14-11(15)7-3-4-18(16,17)6-7/h1-2,5,7H,3-4,6H2,(H,14,15).
What are the key properties of N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide?
N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 308.19 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 17466033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).