4-amino-3-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide

C12H15N5O2S — CID 82900249

IUPAC4-amino-3-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide
SMILESCc1cnc(CNc2cc(S(N)(=O)=O)ccc2N)cn1
InChIInChI=1S/C12H15N5O2S/c1-8-5-16-9(6-15-8)7-17-12-4-10(20(14,18)19)2-3-11(12)13/h2-6,17H,7,13H2,1H3,(H2,14,18,19)
InChIKeyARSTWQCLNPNBMU-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.63
Rot. Bonds4

About 4-amino-3-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide

4-amino-3-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide (PubChem CID 82900249) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-amino-3-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide
PubChem CID82900249
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name4-amino-3-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide
SMILESCc1cnc(CNc2cc(S(N)(=O)=O)ccc2N)cn1
InChIInChI=1S/C12H15N5O2S/c1-8-5-16-9(6-15-8)7-17-12-4-10(20(14,18)19)2-3-11(12)13/h2-6,17H,7,13H2,1H3,(H2,14,18,19)
InChIKeyARSTWQCLNPNBMU-UHFFFAOYSA-N
XLogP0.63
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide
CID 62846658
1-N-[(5-methylpyrazin-2-yl)methyl]-4-nitrobenzene-1,2-diamine
CID 55122037
4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 106899228
4-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
CID 82899590
4-bromo-1-N-[(5-methylpyrazin-2-yl)methyl]benzene-1,2-diamine
CID 62845892
4-amino-3-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide
CID 82907394
4-amino-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 114174106
2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline
CID 62846839
6-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2,3,6-triamine
CID 79827777
4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide
CID 82907605
4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide
CID 82898306
4-amino-3-(thiophen-3-ylmethylamino)benzenesulfonamide
CID 82899421

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide?
The IUPAC name of 4-amino-3-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide (CID 82900249) is 4-amino-3-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide is Cc1cnc(CNc2cc(S(N)(=O)=O)ccc2N)cn1.
What is the InChIKey of 4-amino-3-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide?
The InChIKey is ARSTWQCLNPNBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-8-5-16-9(6-15-8)7-17-12-4-10(20(14,18)19)2-3-11(12)13/h2-6,17H,7,13H2,1H3,(H2,14,18,19).
What are the key properties of 4-amino-3-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide?
4-amino-3-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 82900249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).