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

C19H19FN4O3S — CID 46337620

IUPAC4-[2-[[4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nccn(Cc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C19H19FN4O3S/c20-16-5-1-15(2-6-16)13-24-12-11-23-18(19(24)25)22-10-9-14-3-7-17(8-4-14)28(21,26)27/h1-8,11-12H,9-10,13H2,(H,22,23)(H2,21,26,27)
InChIKeyGOMLZADBDHNMIL-UHFFFAOYSA-N
MW402.45 g/mol
LogP1.73
Rot. Bonds7

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

4-[2-[[4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide (PubChem CID 46337620) has the molecular formula C19H19FN4O3S and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-[2-[[4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
PubChem CID46337620
Molecular FormulaC19H19FN4O3S
Molecular Weight402.45 g/mol
Exact Mass402.12
IUPAC Name4-[2-[[4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nccn(Cc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C19H19FN4O3S/c20-16-5-1-15(2-6-16)13-24-12-11-23-18(19(24)25)22-10-9-14-3-7-17(8-4-14)28(21,26)27/h1-8,11-12H,9-10,13H2,(H,22,23)(H2,21,26,27)
InChIKeyGOMLZADBDHNMIL-UHFFFAOYSA-N
XLogP1.73
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide (CID 46337620) is 4-[2-[[4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2nccn(Cc3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of 4-[2-[[4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is GOMLZADBDHNMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S/c20-16-5-1-15(2-6-16)13-24-12-11-23-18(19(24)25)22-10-9-14-3-7-17(8-4-14)28(21,26)27/h1-8,11-12H,9-10,13H2,(H,22,23)(H2,21,26,27).
What are the key properties of 4-[2-[[4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 402.45 g/mol, XLogP of 1.73, 7 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)methyl]-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 46337620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).