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

C12H14N4O3S — CID 62939908

IUPAC4-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]benzenesulfonamide
SMILESCn1ccnc(NCc2ccc(S(N)(=O)=O)cc2)c1=O
InChIInChI=1S/C12H14N4O3S/c1-16-7-6-14-11(12(16)17)15-8-9-2-4-10(5-3-9)20(13,18)19/h2-7H,8H2,1H3,(H,14,15)(H2,13,18,19)
InChIKeyALOWYDDGGWVXRX-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.04
Rot. Bonds4

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

4-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]benzenesulfonamide (PubChem CID 62939908) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]benzenesulfonamide
PubChem CID62939908
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name4-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]benzenesulfonamide
SMILESCn1ccnc(NCc2ccc(S(N)(=O)=O)cc2)c1=O
InChIInChI=1S/C12H14N4O3S/c1-16-7-6-14-11(12(16)17)15-8-9-2-4-10(5-3-9)20(13,18)19/h2-7H,8H2,1H3,(H,14,15)(H2,13,18,19)
InChIKeyALOWYDDGGWVXRX-UHFFFAOYSA-N
XLogP0.04
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrazin-2-one
CID 62940084
4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 62735276
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
1-methyl-3-(1H-pyrazol-5-ylmethylamino)pyrazin-2-one
CID 62940431
1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938866
4-[[[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 25207627
1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one
CID 62940791
1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one
CID 62939218
3-[(4-aminophenyl)methylamino]-1-tert-butylpyrazin-2-one
CID 62929541
4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 20941586
4-[2-[[4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 46337620
3-[(4-nitrophenyl)methylamino]-1-propan-2-ylpyrazin-2-one
CID 62940372

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]benzenesulfonamide (CID 62939908) is 4-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]benzenesulfonamide is Cn1ccnc(NCc2ccc(S(N)(=O)=O)cc2)c1=O.
What is the InChIKey of 4-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]benzenesulfonamide?
The InChIKey is ALOWYDDGGWVXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-16-7-6-14-11(12(16)17)15-8-9-2-4-10(5-3-9)20(13,18)19/h2-7H,8H2,1H3,(H,14,15)(H2,13,18,19).
What are the key properties of 4-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]benzenesulfonamide?
4-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]benzenesulfonamide has a molecular weight of 294.34 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 62939908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).