4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide

C18H17FN4O3S — CID 20941586

IUPAC4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nccn(-c3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C18H17FN4O3S/c19-14-3-5-15(6-4-14)23-12-11-22-17(18(23)24)21-10-9-13-1-7-16(8-2-13)27(20,25)26/h1-8,11-12H,9-10H2,(H,21,22)(H2,20,25,26)
InChIKeyLDCUDTRDCYWMNU-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.67
Rot. Bonds6

About 4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide

4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide (PubChem CID 20941586) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
PubChem CID20941586
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Name4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nccn(-c3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C18H17FN4O3S/c19-14-3-5-15(6-4-14)23-12-11-22-17(18(23)24)21-10-9-13-1-7-16(8-2-13)27(20,25)26/h1-8,11-12H,9-10H2,(H,21,22)(H2,20,25,26)
InChIKeyLDCUDTRDCYWMNU-UHFFFAOYSA-N
XLogP1.67
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]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 4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide (CID 20941586) is 4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2nccn(-c3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of 4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is LDCUDTRDCYWMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c19-14-3-5-15(6-4-14)23-12-11-22-17(18(23)24)21-10-9-13-1-7-16(8-2-13)27(20,25)26/h1-8,11-12H,9-10H2,(H,21,22)(H2,20,25,26).
What are the key properties of 4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 388.42 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 20941586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).