4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide

C13H16N4O2S — CID 114475193

IUPAC4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide
SMILESCc1ncc(NCc2ccc(S(N)(=O)=O)cc2)nc1C
InChIInChI=1S/C13H16N4O2S/c1-9-10(2)17-13(8-15-9)16-7-11-3-5-12(6-4-11)20(14,18)19/h3-6,8H,7H2,1-2H3,(H,16,17)(H2,14,18,19)
InChIKeyXOKMSQBOJXWTOE-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.35
Rot. Bonds4

About 4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide

4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide (PubChem CID 114475193) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide
PubChem CID114475193
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide
SMILESCc1ncc(NCc2ccc(S(N)(=O)=O)cc2)nc1C
InChIInChI=1S/C13H16N4O2S/c1-9-10(2)17-13(8-15-9)16-7-11-3-5-12(6-4-11)20(14,18)19/h3-6,8H,7H2,1-2H3,(H,16,17)(H2,14,18,19)
InChIKeyXOKMSQBOJXWTOE-UHFFFAOYSA-N
XLogP1.35
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide
CID 114448052
4-[(pyrimidin-4-ylamino)methyl]benzenesulfonamide
CID 61253359
4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 106192569
4-[2-[[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112859175
[3-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
CID 114476788
4-[[(4-cyano-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 24692112
4-[[(3,5-dimethylphenyl)methylamino]methyl]benzenesulfonamide
CID 60686955
4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
CID 29036567
4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409
3-methyl-5-[(4-sulfamoylphenyl)methylamino]benzenesulfonamide
CID 167881522
N-[2-(4-aminophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114476457
4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide
CID 25211077

Frequently Asked Questions

What is the IUPAC name of 4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide (CID 114475193) is 4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide is Cc1ncc(NCc2ccc(S(N)(=O)=O)cc2)nc1C.
What is the InChIKey of 4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide?
The InChIKey is XOKMSQBOJXWTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-9-10(2)17-13(8-15-9)16-7-11-3-5-12(6-4-11)20(14,18)19/h3-6,8H,7H2,1-2H3,(H,16,17)(H2,14,18,19).
What are the key properties of 4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide?
4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 114475193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).