5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide

C12H11Cl2N3O2S — CID 64608921

IUPAC5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCc1cccnc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N3O2S/c13-11-6-10(8-16-12(11)14)20(18,19)17-5-3-9-2-1-4-15-7-9/h1-2,4,6-8,17H,3,5H2
InChIKeyQOOWOEPPCALKIZ-UHFFFAOYSA-N
MW332.21 g/mol
LogP2.30
Rot. Bonds5

About 5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide

5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide (PubChem CID 64608921) has the molecular formula C12H11Cl2N3O2S and a molecular weight of 332.21 g/mol. Its IUPAC name is 5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
PubChem CID64608921
Molecular FormulaC12H11Cl2N3O2S
Molecular Weight332.21 g/mol
Exact Mass330.99
IUPAC Name5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCc1cccnc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N3O2S/c13-11-6-10(8-16-12(11)14)20(18,19)17-5-3-9-2-1-4-15-7-9/h1-2,4,6-8,17H,3,5H2
InChIKeyQOOWOEPPCALKIZ-UHFFFAOYSA-N
XLogP2.30
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-(ethylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 136574861
2-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-sulfonamide
CID 54895970
5,6-dichloro-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 110295030
6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide
CID 110408505
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729110
3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide
CID 55560053
5-chloro-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 64607977
8-chloro-N-(2-pyridin-3-ylethyl)quinoline-5-sulfonamide
CID 78893886
2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3838924
5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 64623963
3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60895708

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide (CID 64608921) is 5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide is O=S(=O)(NCCc1cccnc1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide?
The InChIKey is QOOWOEPPCALKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2S/c13-11-6-10(8-16-12(11)14)20(18,19)17-5-3-9-2-1-4-15-7-9/h1-2,4,6-8,17H,3,5H2.
What are the key properties of 5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide?
5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide has a molecular weight of 332.21 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64608921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).