2-(3-chlorophenyl)ethynesulfonamide

C8H6ClNO2S — CID 58371425

IUPAC2-(3-chlorophenyl)ethynesulfonamide
SMILESNS(=O)(=O)C#Cc1cccc(Cl)c1
InChIInChI=1S/C8H6ClNO2S/c9-8-3-1-2-7(6-8)4-5-13(10,11)12/h1-3,6H,(H2,10,11,12)
InChIKeyBEOXGSYXONHKAI-UHFFFAOYSA-N
MW215.66 g/mol
LogP0.94
Rot. Bonds

About 2-(3-chlorophenyl)ethynesulfonamide

2-(3-chlorophenyl)ethynesulfonamide (PubChem CID 58371425) has the molecular formula C8H6ClNO2S and a molecular weight of 215.66 g/mol. Its IUPAC name is 2-(3-chlorophenyl)ethynesulfonamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)ethynesulfonamide
PubChem CID58371425
Molecular FormulaC8H6ClNO2S
Molecular Weight215.66 g/mol
Exact Mass214.98
IUPAC Name2-(3-chlorophenyl)ethynesulfonamide
SMILESNS(=O)(=O)C#Cc1cccc(Cl)c1
InChIInChI=1S/C8H6ClNO2S/c9-8-3-1-2-7(6-8)4-5-13(10,11)12/h1-3,6H,(H2,10,11,12)
InChIKeyBEOXGSYXONHKAI-UHFFFAOYSA-N
XLogP0.94
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)ethynesulfonamide?
The IUPAC name of 2-(3-chlorophenyl)ethynesulfonamide (CID 58371425) is 2-(3-chlorophenyl)ethynesulfonamide.
What is the SMILES notation for 2-(3-chlorophenyl)ethynesulfonamide?
The canonical SMILES for 2-(3-chlorophenyl)ethynesulfonamide is NS(=O)(=O)C#Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)ethynesulfonamide?
The InChIKey is BEOXGSYXONHKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO2S/c9-8-3-1-2-7(6-8)4-5-13(10,11)12/h1-3,6H,(H2,10,11,12).
What are the key properties of 2-(3-chlorophenyl)ethynesulfonamide?
2-(3-chlorophenyl)ethynesulfonamide has a molecular weight of 215.66 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)ethynesulfonamide is sourced from PubChem (CID 58371425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).