N-[4-[(2E)-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetyl]phenyl]benzenesulfonamide

C22H15FN2O4S — CID 171390327

IUPACN-[4-[(2E)-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetyl]phenyl]benzenesulfonamide
SMILESO=C1Nc2ccc(F)cc2/C1=C\C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H15FN2O4S/c23-15-8-11-20-18(12-15)19(22(27)24-20)13-21(26)14-6-9-16(10-7-14)25-30(28,29)17-4-2-1-3-5-17/h1-13,25H,(H,24,27)/b19-13+
InChIKeyAAPNTDZFSIOQSC-CPNJWEJPSA-N
MW422.44 g/mol
LogP3.84
Rot. Bonds5

About N-[4-[(2E)-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetyl]phenyl]benzenesulfonamide

N-[4-[(2E)-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetyl]phenyl]benzenesulfonamide (PubChem CID 171390327) has the molecular formula C22H15FN2O4S and a molecular weight of 422.44 g/mol. Its IUPAC name is N-[4-[(2E)-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(2E)-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetyl]phenyl]benzenesulfonamide
PubChem CID171390327
Molecular FormulaC22H15FN2O4S
Molecular Weight422.44 g/mol
Exact Mass422.07
IUPAC NameN-[4-[(2E)-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetyl]phenyl]benzenesulfonamide
SMILESO=C1Nc2ccc(F)cc2/C1=C\C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H15FN2O4S/c23-15-8-11-20-18(12-15)19(22(27)24-20)13-21(26)14-6-9-16(10-7-14)25-30(28,29)17-4-2-1-3-5-17/h1-13,25H,(H,24,27)/b19-13+
InChIKeyAAPNTDZFSIOQSC-CPNJWEJPSA-N
XLogP3.84
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-[(2E)-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetyl]phenyl]benzenesulfonamide 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-[4-[(2E)-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[(2E)-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetyl]phenyl]benzenesulfonamide (CID 171390327) is N-[4-[(2E)-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[(2E)-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[(2E)-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetyl]phenyl]benzenesulfonamide is O=C1Nc2ccc(F)cc2/C1=C\C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[(2E)-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetyl]phenyl]benzenesulfonamide?
The InChIKey is AAPNTDZFSIOQSC-CPNJWEJPSA-N. The full InChI is InChI=1S/C22H15FN2O4S/c23-15-8-11-20-18(12-15)19(22(27)24-20)13-21(26)14-6-9-16(10-7-14)25-30(28,29)17-4-2-1-3-5-17/h1-13,25H,(H,24,27)/b19-13+.
What are the key properties of N-[4-[(2E)-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetyl]phenyl]benzenesulfonamide?
N-[4-[(2E)-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetyl]phenyl]benzenesulfonamide has a molecular weight of 422.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2E)-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 171390327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).