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

C18H17ClN4O3S — CID 20941591

IUPAC4-[2-[[4-(3-chlorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nccn(-c3cccc(Cl)c3)c2=O)cc1
InChIInChI=1S/C18H17ClN4O3S/c19-14-2-1-3-15(12-14)23-11-10-22-17(18(23)24)21-9-8-13-4-6-16(7-5-13)27(20,25)26/h1-7,10-12H,8-9H2,(H,21,22)(H2,20,25,26)
InChIKeyAGMQNFZEZVPPCL-UHFFFAOYSA-N
MW404.88 g/mol
LogP2.19
Rot. Bonds6

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

4-[2-[[4-(3-chlorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide (PubChem CID 20941591) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is 4-[2-[[4-(3-chlorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[4-(3-chlorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
PubChem CID20941591
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC Name4-[2-[[4-(3-chlorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nccn(-c3cccc(Cl)c3)c2=O)cc1
InChIInChI=1S/C18H17ClN4O3S/c19-14-2-1-3-15(12-14)23-11-10-22-17(18(23)24)21-9-8-13-4-6-16(7-5-13)27(20,25)26/h1-7,10-12H,8-9H2,(H,21,22)(H2,20,25,26)
InChIKeyAGMQNFZEZVPPCL-UHFFFAOYSA-N
XLogP2.19
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 8721605
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 20941589
4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 20941586
4-[2-[[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 20941642
1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 46337473
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 29484698
4-[2-[[4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 46337620
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one
CID 20941622
4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 114835817
4-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]benzenesulfonamide
CID 62939908
4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide
CID 60620125
3-(benzylamino)-1-(3-chloro-4-fluorophenyl)pyrazin-2-one
CID 46337507

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(3-chlorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[4-(3-chlorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide (CID 20941591) is 4-[2-[[4-(3-chlorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[4-(3-chlorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[4-(3-chlorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2nccn(-c3cccc(Cl)c3)c2=O)cc1.
What is the InChIKey of 4-[2-[[4-(3-chlorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is AGMQNFZEZVPPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c19-14-2-1-3-15(12-14)23-11-10-22-17(18(23)24)21-9-8-13-4-6-16(7-5-13)27(20,25)26/h1-7,10-12H,8-9H2,(H,21,22)(H2,20,25,26).
What are the key properties of 4-[2-[[4-(3-chlorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[4-(3-chlorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 404.88 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(3-chlorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 20941591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).