N-(6-chloro-4-methyl-3-pyridinyl)ethanesulfonamide

C8H11ClN2O2S — CID 130168364

IUPACN-(6-chloro-4-methyl-3-pyridinyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cnc(Cl)cc1C
InChIInChI=1S/C8H11ClN2O2S/c1-3-14(12,13)11-7-5-10-8(9)4-6(7)2/h4-5,11H,3H2,1-2H3
InChIKeyAOSZBNWTBOMELB-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.81
Rot. Bonds3

About N-(6-chloro-4-methyl-3-pyridinyl)ethanesulfonamide

N-(6-chloro-4-methyl-3-pyridinyl)ethanesulfonamide (PubChem CID 130168364) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-3-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-3-pyridinyl)ethanesulfonamide
PubChem CID130168364
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC NameN-(6-chloro-4-methyl-3-pyridinyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cnc(Cl)cc1C
InChIInChI=1S/C8H11ClN2O2S/c1-3-14(12,13)11-7-5-10-8(9)4-6(7)2/h4-5,11H,3H2,1-2H3
InChIKeyAOSZBNWTBOMELB-UHFFFAOYSA-N
XLogP1.81
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.81
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-(6-chloro-4-methyl-3-pyridinyl)ethanesulfonamide?
The IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)ethanesulfonamide (CID 130168364) is N-(6-chloro-4-methyl-3-pyridinyl)ethanesulfonamide.
What is the SMILES notation for N-(6-chloro-4-methyl-3-pyridinyl)ethanesulfonamide?
The canonical SMILES for N-(6-chloro-4-methyl-3-pyridinyl)ethanesulfonamide is CCS(=O)(=O)Nc1cnc(Cl)cc1C.
What is the InChIKey of N-(6-chloro-4-methyl-3-pyridinyl)ethanesulfonamide?
The InChIKey is AOSZBNWTBOMELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c1-3-14(12,13)11-7-5-10-8(9)4-6(7)2/h4-5,11H,3H2,1-2H3.
What are the key properties of N-(6-chloro-4-methyl-3-pyridinyl)ethanesulfonamide?
N-(6-chloro-4-methyl-3-pyridinyl)ethanesulfonamide has a molecular weight of 234.71 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-3-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 130168364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).