N-[4-(5,7-dimethyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-2-yl)sulfonylphenyl]acetamide

C15H15N5O5S — CID 46335425

IUPACN-[4-(5,7-dimethyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-2-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2cc3c(=O)n(C)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C15H15N5O5S/c1-9(21)16-10-4-6-11(7-5-10)26(24,25)20-8-12-13(17-20)18(2)15(23)19(3)14(12)22/h4-8H,1-3H3,(H,16,21)
InChIKeyMTEUQLZFTVQWOW-UHFFFAOYSA-N
MW377.38 g/mol
LogP-0.37
Rot. Bonds3

About N-[4-(5,7-dimethyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-2-yl)sulfonylphenyl]acetamide

N-[4-(5,7-dimethyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-2-yl)sulfonylphenyl]acetamide (PubChem CID 46335425) has the molecular formula C15H15N5O5S and a molecular weight of 377.38 g/mol. Its IUPAC name is N-[4-(5,7-dimethyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-2-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5,7-dimethyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-2-yl)sulfonylphenyl]acetamide
PubChem CID46335425
Molecular FormulaC15H15N5O5S
Molecular Weight377.38 g/mol
Exact Mass377.08
IUPAC NameN-[4-(5,7-dimethyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-2-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2cc3c(=O)n(C)c(=O)n(C)c3n2)cc1
InChIInChI=1S/C15H15N5O5S/c1-9(21)16-10-4-6-11(7-5-10)26(24,25)20-8-12-13(17-20)18(2)15(23)19(3)14(12)22/h4-8H,1-3H3,(H,16,21)
InChIKeyMTEUQLZFTVQWOW-UHFFFAOYSA-N
XLogP-0.37
TPSA125.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5,7-dimethyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-2-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(5,7-dimethyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-2-yl)sulfonylphenyl]acetamide (CID 46335425) is N-[4-(5,7-dimethyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-2-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(5,7-dimethyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-2-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(5,7-dimethyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-2-yl)sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)n2cc3c(=O)n(C)c(=O)n(C)c3n2)cc1.
What is the InChIKey of N-[4-(5,7-dimethyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-2-yl)sulfonylphenyl]acetamide?
The InChIKey is MTEUQLZFTVQWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O5S/c1-9(21)16-10-4-6-11(7-5-10)26(24,25)20-8-12-13(17-20)18(2)15(23)19(3)14(12)22/h4-8H,1-3H3,(H,16,21).
What are the key properties of N-[4-(5,7-dimethyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-2-yl)sulfonylphenyl]acetamide?
N-[4-(5,7-dimethyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-2-yl)sulfonylphenyl]acetamide has a molecular weight of 377.38 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,7-dimethyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-2-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 46335425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).