6-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidin-7-amine

C19H16N4O4S2 — CID 45142623

IUPAC6-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(S(=O)(=O)c2cnn3c(N)c(S(=O)(=O)c4ccccc4)cnc23)cc1
InChIInChI=1S/C19H16N4O4S2/c1-13-7-9-15(10-8-13)29(26,27)17-12-22-23-18(20)16(11-21-19(17)23)28(24,25)14-5-3-2-4-6-14/h2-12H,20H2,1H3
InChIKeyFIMYQNHPFCPGFT-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.29
Rot. Bonds4

About 6-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidin-7-amine

6-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 45142623) has the molecular formula C19H16N4O4S2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID45142623
Molecular FormulaC19H16N4O4S2
Molecular Weight428.50 g/mol
Exact Mass428.06
IUPAC Name6-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(S(=O)(=O)c2cnn3c(N)c(S(=O)(=O)c4ccccc4)cnc23)cc1
InChIInChI=1S/C19H16N4O4S2/c1-13-7-9-15(10-8-13)29(26,27)17-12-22-23-18(20)16(11-21-19(17)23)28(24,25)14-5-3-2-4-6-14/h2-12H,20H2,1H3
InChIKeyFIMYQNHPFCPGFT-UHFFFAOYSA-N
XLogP2.29
TPSA124.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidin-7-amine (CID 45142623) is 6-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(S(=O)(=O)c2cnn3c(N)c(S(=O)(=O)c4ccccc4)cnc23)cc1.
What is the InChIKey of 6-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FIMYQNHPFCPGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S2/c1-13-7-9-15(10-8-13)29(26,27)17-12-22-23-18(20)16(11-21-19(17)23)28(24,25)14-5-3-2-4-6-14/h2-12H,20H2,1H3.
What are the key properties of 6-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
6-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 428.50 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-3-(4-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 45142623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).