N-[5-chloro-6-(2-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide

C16H11Cl2FN4O2S — CID 151501876

IUPACN-[5-chloro-6-(2-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide
SMILESCc1ccnc(Cl)c1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1Cl
InChIInChI=1S/C16H11Cl2FN4O2S/c1-9-7-8-20-16(18)14(9)15-10(17)5-6-12(22-15)23-26(24,25)13-4-2-3-11(19)21-13/h2-8H,1H3,(H,22,23)
InChIKeyPQOZYVTUPKTNRL-UHFFFAOYSA-N
MW413.26 g/mol
LogP4.09
Rot. Bonds4

About N-[5-chloro-6-(2-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide

N-[5-chloro-6-(2-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide (PubChem CID 151501876) has the molecular formula C16H11Cl2FN4O2S and a molecular weight of 413.26 g/mol. Its IUPAC name is N-[5-chloro-6-(2-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-6-(2-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide
PubChem CID151501876
Molecular FormulaC16H11Cl2FN4O2S
Molecular Weight413.26 g/mol
Exact Mass412.00
IUPAC NameN-[5-chloro-6-(2-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide
SMILESCc1ccnc(Cl)c1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1Cl
InChIInChI=1S/C16H11Cl2FN4O2S/c1-9-7-8-20-16(18)14(9)15-10(17)5-6-12(22-15)23-26(24,25)13-4-2-3-11(19)21-13/h2-8H,1H3,(H,22,23)
InChIKeyPQOZYVTUPKTNRL-UHFFFAOYSA-N
XLogP4.09
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.26
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[5-chloro-6-(2-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-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-[5-chloro-6-(2-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide?
The IUPAC name of N-[5-chloro-6-(2-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide (CID 151501876) is N-[5-chloro-6-(2-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-[5-chloro-6-(2-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-[5-chloro-6-(2-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide is Cc1ccnc(Cl)c1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1Cl.
What is the InChIKey of N-[5-chloro-6-(2-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide?
The InChIKey is PQOZYVTUPKTNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN4O2S/c1-9-7-8-20-16(18)14(9)15-10(17)5-6-12(22-15)23-26(24,25)13-4-2-3-11(19)21-13/h2-8H,1H3,(H,22,23).
What are the key properties of N-[5-chloro-6-(2-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide?
N-[5-chloro-6-(2-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide has a molecular weight of 413.26 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(2-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 151501876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).