6-(4-chlorophenyl)sulfonyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C18H13ClN4O2S — CID 2819001

IUPAC6-(4-chlorophenyl)sulfonyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(S(=O)(=O)c2ccc(Cl)cc2)cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C18H13ClN4O2S/c19-13-6-8-14(9-7-13)26(24,25)16-11-21-17-10-15(22-23(17)18(16)20)12-4-2-1-3-5-12/h1-11H,20H2
InChIKeyOYSZUPHUSDPWJI-UHFFFAOYSA-N
MW384.85 g/mol
LogP3.46
Rot. Bonds3

About 6-(4-chlorophenyl)sulfonyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine

6-(4-chlorophenyl)sulfonyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 2819001) has the molecular formula C18H13ClN4O2S and a molecular weight of 384.85 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfonyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfonyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID2819001
Molecular FormulaC18H13ClN4O2S
Molecular Weight384.85 g/mol
Exact Mass384.04
IUPAC Name6-(4-chlorophenyl)sulfonyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(S(=O)(=O)c2ccc(Cl)cc2)cnc2cc(-c3ccccc3)nn12
InChIInChI=1S/C18H13ClN4O2S/c19-13-6-8-14(9-7-13)26(24,25)16-11-21-17-10-15(22-23(17)18(16)20)12-4-2-1-3-5-12/h1-11H,20H2
InChIKeyOYSZUPHUSDPWJI-UHFFFAOYSA-N
XLogP3.46
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)sulfonyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(4-chlorophenyl)sulfonyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 2819001) is 6-(4-chlorophenyl)sulfonyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(4-chlorophenyl)sulfonyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(4-chlorophenyl)sulfonyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(S(=O)(=O)c2ccc(Cl)cc2)cnc2cc(-c3ccccc3)nn12.
What is the InChIKey of 6-(4-chlorophenyl)sulfonyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OYSZUPHUSDPWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2S/c19-13-6-8-14(9-7-13)26(24,25)16-11-21-17-10-15(22-23(17)18(16)20)12-4-2-1-3-5-12/h1-11H,20H2.
What are the key properties of 6-(4-chlorophenyl)sulfonyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
6-(4-chlorophenyl)sulfonyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 384.85 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)sulfonyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 2819001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).