4-[2-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide

C19H22N6O2S — CID 112955946

IUPAC4-[2-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide
SMILESCCN(c1ccccc1)c1nncc(NCCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C19H22N6O2S/c1-2-25(16-6-4-3-5-7-16)19-23-18(14-22-24-19)21-13-12-15-8-10-17(11-9-15)28(20,26)27/h3-11,14H,2,12-13H2,1H3,(H2,20,26,27)(H,21,23,24)
InChIKeyYFRLVVDQGJAGDO-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.33
Rot. Bonds8

About 4-[2-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide

4-[2-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide (PubChem CID 112955946) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is 4-[2-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide
PubChem CID112955946
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC Name4-[2-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide
SMILESCCN(c1ccccc1)c1nncc(NCCc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C19H22N6O2S/c1-2-25(16-6-4-3-5-7-16)19-23-18(14-22-24-19)21-13-12-15-8-10-17(11-9-15)28(20,26)27/h3-11,14H,2,12-13H2,1H3,(H2,20,26,27)(H,21,23,24)
InChIKeyYFRLVVDQGJAGDO-UHFFFAOYSA-N
XLogP2.33
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-N-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112954374
3-N-ethyl-5-N-pentyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112959814
4-[2-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922513
5-N-[2-(4-chlorophenyl)ethyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112956125
4-[2-[[2-(diethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922501
4-[2-[[3-(azepan-1-yl)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide
CID 112955931
4-[2-[[5-(butan-2-ylamino)-1,2,4-triazin-3-yl]amino]ethyl]benzenesulfonamide
CID 112940702
4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112861041
3-N-benzyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949388
4-[2-[[5-(3,4-dimethylanilino)-1,2,4-triazin-3-yl]amino]ethyl]benzenesulfonamide
CID 112955972
5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112953666
N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide
CID 9281334

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide (CID 112955946) is 4-[2-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide is CCN(c1ccccc1)c1nncc(NCCc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[2-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is YFRLVVDQGJAGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-2-25(16-6-4-3-5-7-16)19-23-18(14-22-24-19)21-13-12-15-8-10-17(11-9-15)28(20,26)27/h3-11,14H,2,12-13H2,1H3,(H2,20,26,27)(H,21,23,24).
What are the key properties of 4-[2-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 398.49 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 112955946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).