N-[3-[2-(6-amino-5-pyridin-2-yl-3-pyridinyl)acetyl]-4-chloro-2-fluorophenyl]propane-1-sulfonamide

C21H20ClFN4O3S — CID 58097456

IUPACN-[3-[2-(6-amino-5-pyridin-2-yl-3-pyridinyl)acetyl]-4-chloro-2-fluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Cc2cnc(N)c(-c3ccccn3)c2)c1F
InChIInChI=1S/C21H20ClFN4O3S/c1-2-9-31(29,30)27-17-7-6-15(22)19(20(17)23)18(28)11-13-10-14(21(24)26-12-13)16-5-3-4-8-25-16/h3-8,10,12,27H,2,9,11H2,1H3,(H2,24,26)
InChIKeyRSUFKLFJEULCLS-UHFFFAOYSA-N
MW462.93 g/mol
LogP4.10
Rot. Bonds8

About N-[3-[2-(6-amino-5-pyridin-2-yl-3-pyridinyl)acetyl]-4-chloro-2-fluorophenyl]propane-1-sulfonamide

N-[3-[2-(6-amino-5-pyridin-2-yl-3-pyridinyl)acetyl]-4-chloro-2-fluorophenyl]propane-1-sulfonamide (PubChem CID 58097456) has the molecular formula C21H20ClFN4O3S and a molecular weight of 462.93 g/mol. Its IUPAC name is N-[3-[2-(6-amino-5-pyridin-2-yl-3-pyridinyl)acetyl]-4-chloro-2-fluorophenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(6-amino-5-pyridin-2-yl-3-pyridinyl)acetyl]-4-chloro-2-fluorophenyl]propane-1-sulfonamide
PubChem CID58097456
Molecular FormulaC21H20ClFN4O3S
Molecular Weight462.93 g/mol
Exact Mass462.09
IUPAC NameN-[3-[2-(6-amino-5-pyridin-2-yl-3-pyridinyl)acetyl]-4-chloro-2-fluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Cc2cnc(N)c(-c3ccccn3)c2)c1F
InChIInChI=1S/C21H20ClFN4O3S/c1-2-9-31(29,30)27-17-7-6-15(22)19(20(17)23)18(28)11-13-10-14(21(24)26-12-13)16-5-3-4-8-25-16/h3-8,10,12,27H,2,9,11H2,1H3,(H2,24,26)
InChIKeyRSUFKLFJEULCLS-UHFFFAOYSA-N
XLogP4.10
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.93
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[2-(6-amino-5-pyridin-2-yl-3-pyridinyl)acetyl]-4-chloro-2-fluorophenyl]propane-1-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 N-[3-[2-(6-amino-5-pyridin-2-yl-3-pyridinyl)acetyl]-4-chloro-2-fluorophenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[2-(6-amino-5-pyridin-2-yl-3-pyridinyl)acetyl]-4-chloro-2-fluorophenyl]propane-1-sulfonamide (CID 58097456) is N-[3-[2-(6-amino-5-pyridin-2-yl-3-pyridinyl)acetyl]-4-chloro-2-fluorophenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[2-(6-amino-5-pyridin-2-yl-3-pyridinyl)acetyl]-4-chloro-2-fluorophenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[2-(6-amino-5-pyridin-2-yl-3-pyridinyl)acetyl]-4-chloro-2-fluorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Cc2cnc(N)c(-c3ccccn3)c2)c1F.
What is the InChIKey of N-[3-[2-(6-amino-5-pyridin-2-yl-3-pyridinyl)acetyl]-4-chloro-2-fluorophenyl]propane-1-sulfonamide?
The InChIKey is RSUFKLFJEULCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O3S/c1-2-9-31(29,30)27-17-7-6-15(22)19(20(17)23)18(28)11-13-10-14(21(24)26-12-13)16-5-3-4-8-25-16/h3-8,10,12,27H,2,9,11H2,1H3,(H2,24,26).
What are the key properties of N-[3-[2-(6-amino-5-pyridin-2-yl-3-pyridinyl)acetyl]-4-chloro-2-fluorophenyl]propane-1-sulfonamide?
N-[3-[2-(6-amino-5-pyridin-2-yl-3-pyridinyl)acetyl]-4-chloro-2-fluorophenyl]propane-1-sulfonamide has a molecular weight of 462.93 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(6-amino-5-pyridin-2-yl-3-pyridinyl)acetyl]-4-chloro-2-fluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 58097456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).