1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide

C12H16ClNO4S2 — CID 110722896

IUPAC1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide
SMILESO=S1(=O)CCC(CNS(=O)(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C12H16ClNO4S2/c13-12-4-2-1-3-11(12)9-20(17,18)14-7-10-5-6-19(15,16)8-10/h1-4,10,14H,5-9H2
InChIKeyJETRMUXPAIMSHV-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.19
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide

1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide (PubChem CID 110722896) has the molecular formula C12H16ClNO4S2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide
PubChem CID110722896
Molecular FormulaC12H16ClNO4S2
Molecular Weight337.85 g/mol
Exact Mass337.02
IUPAC Name1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide
SMILESO=S1(=O)CCC(CNS(=O)(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C12H16ClNO4S2/c13-12-4-2-1-3-11(12)9-20(17,18)14-7-10-5-6-19(15,16)8-10/h1-4,10,14H,5-9H2
InChIKeyJETRMUXPAIMSHV-UHFFFAOYSA-N
XLogP1.19
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide 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

1-(2-chlorophenyl)-N-[3-(1,1-dioxothiolan-3-yl)propyl]methanesulfonamide
CID 110603018
1-(2-cyanophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide
CID 60734497
N-[(2-chlorophenyl)methyl]-2-(1,1-dioxothiolan-3-yl)ethanamine
CID 90100839
1-(2-chlorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887905
3-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]propane-1-sulfonamide
CID 61057903
2-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-3-sulfonamide
CID 61047462
2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]acetic acid
CID 61057638
1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane
CID 86706430
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)ethanesulfonamide
CID 62131099
1-(1,1-dioxothiolan-3-yl)-N-[(2-fluorophenyl)methyl]methanamine
CID 60733465
5-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 47171265
1-(2-chlorophenyl)-N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 110640625

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide (CID 110722896) is 1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide is O=S1(=O)CCC(CNS(=O)(=O)Cc2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide?
The InChIKey is JETRMUXPAIMSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S2/c13-12-4-2-1-3-11(12)9-20(17,18)14-7-10-5-6-19(15,16)8-10/h1-4,10,14H,5-9H2.
What are the key properties of 1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide has a molecular weight of 337.85 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110722896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).