6-(4-methoxyphenyl)sulfonyl-7H-purine

C12H10N4O3S — CID 150051298

IUPAC6-(4-methoxyphenyl)sulfonyl-7H-purine
SMILESCOc1ccc(S(=O)(=O)c2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C12H10N4O3S/c1-19-8-2-4-9(5-3-8)20(17,18)12-10-11(14-6-13-10)15-7-16-12/h2-7H,1H3,(H,13,14,15,16)
InChIKeyDLJOFAQKRGDLRO-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.19
Rot. Bonds3

About 6-(4-methoxyphenyl)sulfonyl-7H-purine

6-(4-methoxyphenyl)sulfonyl-7H-purine (PubChem CID 150051298) has the molecular formula C12H10N4O3S and a molecular weight of 290.30 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)sulfonyl-7H-purine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)sulfonyl-7H-purine
PubChem CID150051298
Molecular FormulaC12H10N4O3S
Molecular Weight290.30 g/mol
Exact Mass290.05
IUPAC Name6-(4-methoxyphenyl)sulfonyl-7H-purine
SMILESCOc1ccc(S(=O)(=O)c2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C12H10N4O3S/c1-19-8-2-4-9(5-3-8)20(17,18)12-10-11(14-6-13-10)15-7-16-12/h2-7H,1H3,(H,13,14,15,16)
InChIKeyDLJOFAQKRGDLRO-UHFFFAOYSA-N
XLogP1.19
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)sulfonyl-7H-purine?
The IUPAC name of 6-(4-methoxyphenyl)sulfonyl-7H-purine (CID 150051298) is 6-(4-methoxyphenyl)sulfonyl-7H-purine.
What is the SMILES notation for 6-(4-methoxyphenyl)sulfonyl-7H-purine?
The canonical SMILES for 6-(4-methoxyphenyl)sulfonyl-7H-purine is COc1ccc(S(=O)(=O)c2ncnc3nc[nH]c23)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)sulfonyl-7H-purine?
The InChIKey is DLJOFAQKRGDLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3S/c1-19-8-2-4-9(5-3-8)20(17,18)12-10-11(14-6-13-10)15-7-16-12/h2-7H,1H3,(H,13,14,15,16).
What are the key properties of 6-(4-methoxyphenyl)sulfonyl-7H-purine?
6-(4-methoxyphenyl)sulfonyl-7H-purine has a molecular weight of 290.30 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)sulfonyl-7H-purine is sourced from PubChem (CID 150051298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).