6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one

C19H17FN2O4S — CID 2987419

IUPAC6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one
SMILESO=c1ccc2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc2o1
InChIInChI=1S/C19H17FN2O4S/c20-16-3-1-2-4-17(16)21-9-11-22(12-10-21)27(24,25)15-6-7-18-14(13-15)5-8-19(23)26-18/h1-8,13H,9-12H2
InChIKeyKDKVLMZUFLFCOB-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.44
Rot. Bonds3

About 6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one

6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one (PubChem CID 2987419) has the molecular formula C19H17FN2O4S and a molecular weight of 388.42 g/mol. Its IUPAC name is 6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one
PubChem CID2987419
Molecular FormulaC19H17FN2O4S
Molecular Weight388.42 g/mol
Exact Mass388.09
IUPAC Name6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one
SMILESO=c1ccc2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc2o1
InChIInChI=1S/C19H17FN2O4S/c20-16-3-1-2-4-17(16)21-9-11-22(12-10-21)27(24,25)15-6-7-18-14(13-15)5-8-19(23)26-18/h1-8,13H,9-12H2
InChIKeyKDKVLMZUFLFCOB-UHFFFAOYSA-N
XLogP2.44
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one 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 6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one?
The IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one (CID 2987419) is 6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one.
What is the SMILES notation for 6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one?
The canonical SMILES for 6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one is O=c1ccc2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc2o1.
What is the InChIKey of 6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one?
The InChIKey is KDKVLMZUFLFCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S/c20-16-3-1-2-4-17(16)21-9-11-22(12-10-21)27(24,25)15-6-7-18-14(13-15)5-8-19(23)26-18/h1-8,13H,9-12H2.
What are the key properties of 6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one?
6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one has a molecular weight of 388.42 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one is sourced from PubChem (CID 2987419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).