N-[2,4-difluoro-3-[2-(1H-indazol-5-yl)ethynyl]phenyl]pyridine-3-sulfonamide

C20H12F2N4O2S — CID 122179524

IUPACN-[2,4-difluoro-3-[2-(1H-indazol-5-yl)ethynyl]phenyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(C#Cc2ccc3[nH]ncc3c2)c1F)c1cccnc1
InChIInChI=1S/C20H12F2N4O2S/c21-17-6-8-19(26-29(27,28)15-2-1-9-23-12-15)20(22)16(17)5-3-13-4-7-18-14(10-13)11-24-25-18/h1-2,4,6-12,26H,(H,24,25)
InChIKeyOHFQSPNVOAYQQX-UHFFFAOYSA-N
MW410.41 g/mol
LogP3.44
Rot. Bonds3

About N-[2,4-difluoro-3-[2-(1H-indazol-5-yl)ethynyl]phenyl]pyridine-3-sulfonamide

N-[2,4-difluoro-3-[2-(1H-indazol-5-yl)ethynyl]phenyl]pyridine-3-sulfonamide (PubChem CID 122179524) has the molecular formula C20H12F2N4O2S and a molecular weight of 410.41 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[2-(1H-indazol-5-yl)ethynyl]phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[2-(1H-indazol-5-yl)ethynyl]phenyl]pyridine-3-sulfonamide
PubChem CID122179524
Molecular FormulaC20H12F2N4O2S
Molecular Weight410.41 g/mol
Exact Mass410.06
IUPAC NameN-[2,4-difluoro-3-[2-(1H-indazol-5-yl)ethynyl]phenyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(C#Cc2ccc3[nH]ncc3c2)c1F)c1cccnc1
InChIInChI=1S/C20H12F2N4O2S/c21-17-6-8-19(26-29(27,28)15-2-1-9-23-12-15)20(22)16(17)5-3-13-4-7-18-14(10-13)11-24-25-18/h1-2,4,6-12,26H,(H,24,25)
InChIKeyOHFQSPNVOAYQQX-UHFFFAOYSA-N
XLogP3.44
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[2,4-difluoro-3-[2-(1H-indazol-5-yl)ethynyl]phenyl]pyridine-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 N-[2,4-difluoro-3-[2-(1H-indazol-5-yl)ethynyl]phenyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2,4-difluoro-3-[2-(1H-indazol-5-yl)ethynyl]phenyl]pyridine-3-sulfonamide (CID 122179524) is N-[2,4-difluoro-3-[2-(1H-indazol-5-yl)ethynyl]phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-[2-(1H-indazol-5-yl)ethynyl]phenyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-[2-(1H-indazol-5-yl)ethynyl]phenyl]pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(F)c(C#Cc2ccc3[nH]ncc3c2)c1F)c1cccnc1.
What is the InChIKey of N-[2,4-difluoro-3-[2-(1H-indazol-5-yl)ethynyl]phenyl]pyridine-3-sulfonamide?
The InChIKey is OHFQSPNVOAYQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N4O2S/c21-17-6-8-19(26-29(27,28)15-2-1-9-23-12-15)20(22)16(17)5-3-13-4-7-18-14(10-13)11-24-25-18/h1-2,4,6-12,26H,(H,24,25).
What are the key properties of N-[2,4-difluoro-3-[2-(1H-indazol-5-yl)ethynyl]phenyl]pyridine-3-sulfonamide?
N-[2,4-difluoro-3-[2-(1H-indazol-5-yl)ethynyl]phenyl]pyridine-3-sulfonamide has a molecular weight of 410.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-[2-(1H-indazol-5-yl)ethynyl]phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 122179524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).