2-(3-chloro-4-fluoroanilino)pyridine-3-sulfonamide

C11H9ClFN3O2S — CID 53151387

IUPAC2-(3-chloro-4-fluoroanilino)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H9ClFN3O2S/c12-8-6-7(3-4-9(8)13)16-11-10(19(14,17)18)2-1-5-15-11/h1-6H,(H,15,16)(H2,14,17,18)
InChIKeyANUAWIYLDFWEEO-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.27
Rot. Bonds3

About 2-(3-chloro-4-fluoroanilino)pyridine-3-sulfonamide

2-(3-chloro-4-fluoroanilino)pyridine-3-sulfonamide (PubChem CID 53151387) has the molecular formula C11H9ClFN3O2S and a molecular weight of 301.73 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)pyridine-3-sulfonamide
PubChem CID53151387
Molecular FormulaC11H9ClFN3O2S
Molecular Weight301.73 g/mol
Exact Mass301.01
IUPAC Name2-(3-chloro-4-fluoroanilino)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cccnc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H9ClFN3O2S/c12-8-6-7(3-4-9(8)13)16-11-10(19(14,17)18)2-1-5-15-11/h1-6H,(H,15,16)(H2,14,17,18)
InChIKeyANUAWIYLDFWEEO-UHFFFAOYSA-N
XLogP2.27
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide
CID 53151390
2-amino-3-(3-chloro-4-fluoroanilino)benzenesulfonamide
CID 115992341
2-(3-methylsulfanylanilino)pyridine-3-sulfonamide
CID 53151377
2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 28832788
2-(4-methylsulfonylanilino)pyridine-3-sulfonamide
CID 53151392
ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate
CID 28938472
N-(3-chloro-4-fluorophenyl)pyridin-2-amine
CID 28829534
6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145485
6-N-(3-chloro-4-fluorophenyl)-4-N-(3,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22546908
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-sulfamoylbenzamide
CID 121267983
N-(4-chloro-3-fluorophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61468313
6-N-(3-chloro-4-fluorophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144805

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)pyridine-3-sulfonamide?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)pyridine-3-sulfonamide (CID 53151387) is 2-(3-chloro-4-fluoroanilino)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)pyridine-3-sulfonamide?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)pyridine-3-sulfonamide is NS(=O)(=O)c1cccnc1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)pyridine-3-sulfonamide?
The InChIKey is ANUAWIYLDFWEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O2S/c12-8-6-7(3-4-9(8)13)16-11-10(19(14,17)18)2-1-5-15-11/h1-6H,(H,15,16)(H2,14,17,18).
What are the key properties of 2-(3-chloro-4-fluoroanilino)pyridine-3-sulfonamide?
2-(3-chloro-4-fluoroanilino)pyridine-3-sulfonamide has a molecular weight of 301.73 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)pyridine-3-sulfonamide is sourced from PubChem (CID 53151387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).