4-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide

C12H14N4O2S — CID 62846658

IUPAC4-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide
SMILESCc1cnc(CNc2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C12H14N4O2S/c1-9-6-15-11(7-14-9)8-16-10-2-4-12(5-3-10)19(13,17)18/h2-7,16H,8H2,1H3,(H2,13,17,18)
InChIKeyAWYDKALXJXNZBV-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.04
Rot. Bonds4

About 4-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide

4-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide (PubChem CID 62846658) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide
PubChem CID62846658
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name4-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide
SMILESCc1cnc(CNc2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C12H14N4O2S/c1-9-6-15-11(7-14-9)8-16-10-2-4-12(5-3-10)19(13,17)18/h2-7,16H,8H2,1H3,(H2,13,17,18)
InChIKeyAWYDKALXJXNZBV-UHFFFAOYSA-N
XLogP1.04
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide
CID 82900249
4-[(5-methylpyrazin-2-yl)methylamino]benzonitrile
CID 62845592
1-N-[(5-methylpyrazin-2-yl)methyl]-4-nitrobenzene-1,3-diamine
CID 106749266
1-[2-amino-5-[(5-methylpyrazin-2-yl)methylamino]phenyl]ethanone
CID 104612748
2-bromo-4-[(5-methylpyrazin-2-yl)methylamino]benzenecarbothioamide
CID 107277746
4-[(6-bromo-2-pyridinyl)methylamino]benzenesulfonamide
CID 112581748
4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzenesulfonamide
CID 106402805
2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline
CID 62846839
2-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,5-diamine
CID 62846987
4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62957865
2-fluoro-4-[(5-methylpyrazin-2-yl)methylamino]benzoic acid
CID 115485406

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide?
The IUPAC name of 4-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide (CID 62846658) is 4-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide is Cc1cnc(CNc2ccc(S(N)(=O)=O)cc2)cn1.
What is the InChIKey of 4-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide?
The InChIKey is AWYDKALXJXNZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-9-6-15-11(7-14-9)8-16-10-2-4-12(5-3-10)19(13,17)18/h2-7,16H,8H2,1H3,(H2,13,17,18).
What are the key properties of 4-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide?
4-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide has a molecular weight of 278.34 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 62846658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).