2,5-dichloro-N-(6-ethyl-2-pyridinyl)benzenesulfonamide

C13H12Cl2N2O2S — CID 3868272

IUPAC2,5-dichloro-N-(6-ethyl-2-pyridinyl)benzenesulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H12Cl2N2O2S/c1-2-10-4-3-5-13(16-10)17-20(18,19)12-8-9(14)6-7-11(12)15/h3-8H,2H2,1H3,(H,16,17)
InChIKeyUVVAOQJREIDTSR-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.75
Rot. Bonds4

About 2,5-dichloro-N-(6-ethyl-2-pyridinyl)benzenesulfonamide

2,5-dichloro-N-(6-ethyl-2-pyridinyl)benzenesulfonamide (PubChem CID 3868272) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is 2,5-dichloro-N-(6-ethyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(6-ethyl-2-pyridinyl)benzenesulfonamide
PubChem CID3868272
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC Name2,5-dichloro-N-(6-ethyl-2-pyridinyl)benzenesulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H12Cl2N2O2S/c1-2-10-4-3-5-13(16-10)17-20(18,19)12-8-9(14)6-7-11(12)15/h3-8H,2H2,1H3,(H,16,17)
InChIKeyUVVAOQJREIDTSR-UHFFFAOYSA-N
XLogP3.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(6-ethyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(6-ethyl-2-pyridinyl)benzenesulfonamide (CID 3868272) is 2,5-dichloro-N-(6-ethyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(6-ethyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(6-ethyl-2-pyridinyl)benzenesulfonamide is CCc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2,5-dichloro-N-(6-ethyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is UVVAOQJREIDTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-2-10-4-3-5-13(16-10)17-20(18,19)12-8-9(14)6-7-11(12)15/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of 2,5-dichloro-N-(6-ethyl-2-pyridinyl)benzenesulfonamide?
2,5-dichloro-N-(6-ethyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 331.22 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(6-ethyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 3868272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).