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

C19H20N4O3S — CID 20941569

IUPAC4-[2-[[4-(4-methylphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
SMILESCc1ccc(-n2ccnc(NCCc3ccc(S(N)(=O)=O)cc3)c2=O)cc1
InChIInChI=1S/C19H20N4O3S/c1-14-2-6-16(7-3-14)23-13-12-22-18(19(23)24)21-11-10-15-4-8-17(9-5-15)27(20,25)26/h2-9,12-13H,10-11H2,1H3,(H,21,22)(H2,20,25,26)
InChIKeyHELMBQWOXREVTC-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.84
Rot. Bonds6

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

4-[2-[[4-(4-methylphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide (PubChem CID 20941569) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-[2-[[4-(4-methylphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[4-(4-methylphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
PubChem CID20941569
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name4-[2-[[4-(4-methylphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
SMILESCc1ccc(-n2ccnc(NCCc3ccc(S(N)(=O)=O)cc3)c2=O)cc1
InChIInChI=1S/C19H20N4O3S/c1-14-2-6-16(7-3-14)23-13-12-22-18(19(23)24)21-11-10-15-4-8-17(9-5-15)27(20,25)26/h2-9,12-13H,10-11H2,1H3,(H,21,22)(H2,20,25,26)
InChIKeyHELMBQWOXREVTC-UHFFFAOYSA-N
XLogP1.84
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.84
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-methylphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[4-(4-methylphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide (CID 20941569) is 4-[2-[[4-(4-methylphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[4-(4-methylphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[4-(4-methylphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide is Cc1ccc(-n2ccnc(NCCc3ccc(S(N)(=O)=O)cc3)c2=O)cc1.
What is the InChIKey of 4-[2-[[4-(4-methylphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is HELMBQWOXREVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-14-2-6-16(7-3-14)23-13-12-22-18(19(23)24)21-11-10-15-4-8-17(9-5-15)27(20,25)26/h2-9,12-13H,10-11H2,1H3,(H,21,22)(H2,20,25,26).
What are the key properties of 4-[2-[[4-(4-methylphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[4-(4-methylphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 384.46 g/mol, XLogP of 1.84, 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-methylphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 20941569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).