N-[2-fluoro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]pyridine-2-sulfonamide

C23H17FN4O3S2 — CID 73297197

IUPACN-[2-fluoro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]pyridine-2-sulfonamide
SMILESCN1Cc2cc(-c3ccc(-c4cnc(F)c(NS(=O)(=O)c5ccccn5)c4)s3)ccc2C1=O
InChIInChI=1S/C23H17FN4O3S2/c1-28-13-16-10-14(5-6-17(16)23(28)29)19-7-8-20(32-19)15-11-18(22(24)26-12-15)27-33(30,31)21-4-2-3-9-25-21/h2-12,27H,13H2,1H3
InChIKeyCOLHPMNOIZVHAR-UHFFFAOYSA-N
MW480.55 g/mol
LogP4.40
Rot. Bonds5

About N-[2-fluoro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]pyridine-2-sulfonamide

N-[2-fluoro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]pyridine-2-sulfonamide (PubChem CID 73297197) has the molecular formula C23H17FN4O3S2 and a molecular weight of 480.55 g/mol. Its IUPAC name is N-[2-fluoro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]pyridine-2-sulfonamide
PubChem CID73297197
Molecular FormulaC23H17FN4O3S2
Molecular Weight480.55 g/mol
Exact Mass480.07
IUPAC NameN-[2-fluoro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]pyridine-2-sulfonamide
SMILESCN1Cc2cc(-c3ccc(-c4cnc(F)c(NS(=O)(=O)c5ccccn5)c4)s3)ccc2C1=O
InChIInChI=1S/C23H17FN4O3S2/c1-28-13-16-10-14(5-6-17(16)23(28)29)19-7-8-20(32-19)15-11-18(22(24)26-12-15)27-33(30,31)21-4-2-3-9-25-21/h2-12,27H,13H2,1H3
InChIKeyCOLHPMNOIZVHAR-UHFFFAOYSA-N
XLogP4.40
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-fluoro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]pyridine-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-[2-fluoro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]pyridine-2-sulfonamide?
The IUPAC name of N-[2-fluoro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]pyridine-2-sulfonamide (CID 73297197) is N-[2-fluoro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-[2-fluoro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]pyridine-2-sulfonamide?
The canonical SMILES for N-[2-fluoro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]pyridine-2-sulfonamide is CN1Cc2cc(-c3ccc(-c4cnc(F)c(NS(=O)(=O)c5ccccn5)c4)s3)ccc2C1=O.
What is the InChIKey of N-[2-fluoro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]pyridine-2-sulfonamide?
The InChIKey is COLHPMNOIZVHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O3S2/c1-28-13-16-10-14(5-6-17(16)23(28)29)19-7-8-20(32-19)15-11-18(22(24)26-12-15)27-33(30,31)21-4-2-3-9-25-21/h2-12,27H,13H2,1H3.
What are the key properties of N-[2-fluoro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]pyridine-2-sulfonamide?
N-[2-fluoro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 480.55 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 73297197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).