2-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-sulfonamide

C12H11ClFN3O2S — CID 53151404

IUPAC2-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cccnc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H11ClFN3O2S/c1-15-20(18,19)11-3-2-6-16-12(11)17-8-4-5-10(14)9(13)7-8/h2-7,15H,1H3,(H,16,17)
InChIKeyZQGOERIBFHXZSL-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.53
Rot. Bonds4

About 2-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-sulfonamide

2-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-sulfonamide (PubChem CID 53151404) has the molecular formula C12H11ClFN3O2S and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-sulfonamide
PubChem CID53151404
Molecular FormulaC12H11ClFN3O2S
Molecular Weight315.76 g/mol
Exact Mass315.02
IUPAC Name2-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cccnc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H11ClFN3O2S/c1-15-20(18,19)11-3-2-6-16-12(11)17-8-4-5-10(14)9(13)7-8/h2-7,15H,1H3,(H,16,17)
InChIKeyZQGOERIBFHXZSL-UHFFFAOYSA-N
XLogP2.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-sulfonamide (CID 53151404) is 2-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1cccnc1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-sulfonamide?
The InChIKey is ZQGOERIBFHXZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O2S/c1-15-20(18,19)11-3-2-6-16-12(11)17-8-4-5-10(14)9(13)7-8/h2-7,15H,1H3,(H,16,17).
What are the key properties of 2-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-sulfonamide?
2-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-sulfonamide has a molecular weight of 315.76 g/mol, XLogP of 2.53, 4 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)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 53151404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).