2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine

C13H14ClNO2S2 — CID 2820267

IUPAC2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESO=S(=O)(CCNCc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClNO2S2/c14-11-3-5-13(6-4-11)19(16,17)9-7-15-10-12-2-1-8-18-12/h1-6,8,15H,7,9-10H2
InChIKeyPFQFZCFNQQOYBU-UHFFFAOYSA-N
MW315.85 g/mol
LogP2.96
Rot. Bonds6

About 2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine

2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 2820267) has the molecular formula C13H14ClNO2S2 and a molecular weight of 315.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID2820267
Molecular FormulaC13H14ClNO2S2
Molecular Weight315.85 g/mol
Exact Mass315.02
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESO=S(=O)(CCNCc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClNO2S2/c14-11-3-5-13(6-4-11)19(16,17)9-7-15-10-12-2-1-8-18-12/h1-6,8,15H,7,9-10H2
InChIKeyPFQFZCFNQQOYBU-UHFFFAOYSA-N
XLogP2.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)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-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine (CID 2820267) is 2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine is O=S(=O)(CCNCc1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is PFQFZCFNQQOYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2S2/c14-11-3-5-13(6-4-11)19(16,17)9-7-15-10-12-2-1-8-18-12/h1-6,8,15H,7,9-10H2.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine?
2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 315.85 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 2820267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).