N-[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide

C22H15ClFN3O2S — CID 164745307

IUPACN-[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(-c2ccccc2-c2ccccc2)n1)c1cccc(F)n1
InChIInChI=1S/C22H15ClFN3O2S/c23-18-13-14-20(27-30(28,29)21-12-6-11-19(24)25-21)26-22(18)17-10-5-4-9-16(17)15-7-2-1-3-8-15/h1-14H,(H,26,27)
InChIKeyUUHZMPATGIXYSX-UHFFFAOYSA-N
MW439.90 g/mol
LogP5.40
Rot. Bonds5

About N-[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide

N-[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide (PubChem CID 164745307) has the molecular formula C22H15ClFN3O2S and a molecular weight of 439.90 g/mol. Its IUPAC name is N-[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide
PubChem CID164745307
Molecular FormulaC22H15ClFN3O2S
Molecular Weight439.90 g/mol
Exact Mass439.06
IUPAC NameN-[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(-c2ccccc2-c2ccccc2)n1)c1cccc(F)n1
InChIInChI=1S/C22H15ClFN3O2S/c23-18-13-14-20(27-30(28,29)21-12-6-11-19(24)25-21)26-22(18)17-10-5-4-9-16(17)15-7-2-1-3-8-15/h1-14H,(H,26,27)
InChIKeyUUHZMPATGIXYSX-UHFFFAOYSA-N
XLogP5.40
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.90
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide?
The IUPAC name of N-[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide (CID 164745307) is N-[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide is O=S(=O)(Nc1ccc(Cl)c(-c2ccccc2-c2ccccc2)n1)c1cccc(F)n1.
What is the InChIKey of N-[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide?
The InChIKey is UUHZMPATGIXYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O2S/c23-18-13-14-20(27-30(28,29)21-12-6-11-19(24)25-21)26-22(18)17-10-5-4-9-16(17)15-7-2-1-3-8-15/h1-14H,(H,26,27).
What are the key properties of N-[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide?
N-[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide has a molecular weight of 439.90 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(2-phenylphenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 164745307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).