4-(2,3-dichloroanilino)pyridine-3-sulfonamide

C11H9Cl2N3O2S — CID 3040404

IUPAC4-(2,3-dichloroanilino)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1Nc1cccc(Cl)c1Cl
InChIInChI=1S/C11H9Cl2N3O2S/c12-7-2-1-3-9(11(7)13)16-8-4-5-15-6-10(8)19(14,17)18/h1-6H,(H,15,16)(H2,14,17,18)
InChIKeyNWELMCDFHHRXPI-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.78
Rot. Bonds3

About 4-(2,3-dichloroanilino)pyridine-3-sulfonamide

4-(2,3-dichloroanilino)pyridine-3-sulfonamide (PubChem CID 3040404) has the molecular formula C11H9Cl2N3O2S and a molecular weight of 318.19 g/mol. Its IUPAC name is 4-(2,3-dichloroanilino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(2,3-dichloroanilino)pyridine-3-sulfonamide
PubChem CID3040404
Molecular FormulaC11H9Cl2N3O2S
Molecular Weight318.19 g/mol
Exact Mass316.98
IUPAC Name4-(2,3-dichloroanilino)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1Nc1cccc(Cl)c1Cl
InChIInChI=1S/C11H9Cl2N3O2S/c12-7-2-1-3-9(11(7)13)16-8-4-5-15-6-10(8)19(14,17)18/h1-6H,(H,15,16)(H2,14,17,18)
InChIKeyNWELMCDFHHRXPI-UHFFFAOYSA-N
XLogP2.78
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichloroanilino)pyridine-3-sulfonamide?
The IUPAC name of 4-(2,3-dichloroanilino)pyridine-3-sulfonamide (CID 3040404) is 4-(2,3-dichloroanilino)pyridine-3-sulfonamide.
What is the SMILES notation for 4-(2,3-dichloroanilino)pyridine-3-sulfonamide?
The canonical SMILES for 4-(2,3-dichloroanilino)pyridine-3-sulfonamide is NS(=O)(=O)c1cnccc1Nc1cccc(Cl)c1Cl.
What is the InChIKey of 4-(2,3-dichloroanilino)pyridine-3-sulfonamide?
The InChIKey is NWELMCDFHHRXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2S/c12-7-2-1-3-9(11(7)13)16-8-4-5-15-6-10(8)19(14,17)18/h1-6H,(H,15,16)(H2,14,17,18).
What are the key properties of 4-(2,3-dichloroanilino)pyridine-3-sulfonamide?
4-(2,3-dichloroanilino)pyridine-3-sulfonamide has a molecular weight of 318.19 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichloroanilino)pyridine-3-sulfonamide is sourced from PubChem (CID 3040404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).