3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine

C18H17N3O4S2 — CID 158251208

IUPAC3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(CS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3O4S2/c1-26(22,23)14-9-7-13(8-10-14)16-11-20-18(19)17(21-16)12-27(24,25)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H2,19,20)
InChIKeyCGVLHCKMCOREBB-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.10
Rot. Bonds5

About 3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine

3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine (PubChem CID 158251208) has the molecular formula C18H17N3O4S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
PubChem CID158251208
Molecular FormulaC18H17N3O4S2
Molecular Weight403.49 g/mol
Exact Mass403.07
IUPAC Name3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(CS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3O4S2/c1-26(22,23)14-9-7-13(8-10-14)16-11-20-18(19)17(21-16)12-27(24,25)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H2,19,20)
InChIKeyCGVLHCKMCOREBB-UHFFFAOYSA-N
XLogP2.10
TPSA120.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(6-amino-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
CID 162647092
3-(4-methylpiperazin-1-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
CID 126474348
[4-[[3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carbonyl]amino]phenyl]sulfonylmethylphosphonic acid
CID 166681364
3-(aminomethyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 91026645
3-benzyl-5-(4-nitrophenyl)pyrazin-2-amine
CID 177417276
3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 130206353
3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane
CID 153387650
3-amino-N-cyclohexyl-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 52937662
3-bromo-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-bromopyrazin-2-amine;3-(2-phenylethyl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 159568582
3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-amine
CID 58567148
3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 10568339
2-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
CID 158428005

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine (CID 158251208) is 3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(N)c(CS(=O)(=O)c3ccccc3)n2)cc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is CGVLHCKMCOREBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S2/c1-26(22,23)14-9-7-13(8-10-14)16-11-20-18(19)17(21-16)12-27(24,25)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H2,19,20).
What are the key properties of 3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 403.49 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 158251208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).