2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine

C13H18ClNO3S — CID 104754168

IUPAC2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(CS(=O)(=O)c1cccc(Cl)c1)C1CCOC1
InChIInChI=1S/C13H18ClNO3S/c1-15-13(10-5-6-18-8-10)9-19(16,17)12-4-2-3-11(14)7-12/h2-4,7,10,13,15H,5-6,8-9H2,1H3
InChIKeyRBLOTYAWAIWANO-UHFFFAOYSA-N
MW303.81 g/mol
LogP1.74
Rot. Bonds5

About 2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine

2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104754168) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine
PubChem CID104754168
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine
SMILESCNC(CS(=O)(=O)c1cccc(Cl)c1)C1CCOC1
InChIInChI=1S/C13H18ClNO3S/c1-15-13(10-5-6-18-8-10)9-19(16,17)12-4-2-3-11(14)7-12/h2-4,7,10,13,15H,5-6,8-9H2,1H3
InChIKeyRBLOTYAWAIWANO-UHFFFAOYSA-N
XLogP1.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine (CID 104754168) is 2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine is CNC(CS(=O)(=O)c1cccc(Cl)c1)C1CCOC1.
What is the InChIKey of 2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is RBLOTYAWAIWANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-15-13(10-5-6-18-8-10)9-19(16,17)12-4-2-3-11(14)7-12/h2-4,7,10,13,15H,5-6,8-9H2,1H3.
What are the key properties of 2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine?
2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 303.81 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104754168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).