N-[2-(2-chloro-3-pyridinyl)ethyl]ethenesulfonamide

C9H11ClN2O2S — CID 167771226

IUPACN-[2-(2-chloro-3-pyridinyl)ethyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCCc1cccnc1Cl
InChIInChI=1S/C9H11ClN2O2S/c1-2-15(13,14)12-7-5-8-4-3-6-11-9(8)10/h2-4,6,12H,1,5,7H2
InChIKeyMVXVPJPLDDLUAO-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.34
Rot. Bonds5

About N-[2-(2-chloro-3-pyridinyl)ethyl]ethenesulfonamide

N-[2-(2-chloro-3-pyridinyl)ethyl]ethenesulfonamide (PubChem CID 167771226) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is N-[2-(2-chloro-3-pyridinyl)ethyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-chloro-3-pyridinyl)ethyl]ethenesulfonamide
PubChem CID167771226
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC NameN-[2-(2-chloro-3-pyridinyl)ethyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCCc1cccnc1Cl
InChIInChI=1S/C9H11ClN2O2S/c1-2-15(13,14)12-7-5-8-4-3-6-11-9(8)10/h2-4,6,12H,1,5,7H2
InChIKeyMVXVPJPLDDLUAO-UHFFFAOYSA-N
XLogP1.34
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-3-pyridinyl)ethyl]ethenesulfonamide?
The IUPAC name of N-[2-(2-chloro-3-pyridinyl)ethyl]ethenesulfonamide (CID 167771226) is N-[2-(2-chloro-3-pyridinyl)ethyl]ethenesulfonamide.
What is the SMILES notation for N-[2-(2-chloro-3-pyridinyl)ethyl]ethenesulfonamide?
The canonical SMILES for N-[2-(2-chloro-3-pyridinyl)ethyl]ethenesulfonamide is C=CS(=O)(=O)NCCc1cccnc1Cl.
What is the InChIKey of N-[2-(2-chloro-3-pyridinyl)ethyl]ethenesulfonamide?
The InChIKey is MVXVPJPLDDLUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c1-2-15(13,14)12-7-5-8-4-3-6-11-9(8)10/h2-4,6,12H,1,5,7H2.
What are the key properties of N-[2-(2-chloro-3-pyridinyl)ethyl]ethenesulfonamide?
N-[2-(2-chloro-3-pyridinyl)ethyl]ethenesulfonamide has a molecular weight of 246.72 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-3-pyridinyl)ethyl]ethenesulfonamide is sourced from PubChem (CID 167771226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).