3-(3-chlorophenyl)sulfonyl-N-methylpyrazolo[1,5-a]pyrimidin-2-amine

C13H11ClN4O2S — CID 53322935

IUPAC3-(3-chlorophenyl)sulfonyl-N-methylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2cccnc2c1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H11ClN4O2S/c1-15-12-11(13-16-6-3-7-18(13)17-12)21(19,20)10-5-2-4-9(14)8-10/h2-8H,1H3,(H,15,17)
InChIKeyKPHVCQHKHZETCF-UHFFFAOYSA-N
MW322.78 g/mol
LogP2.26
Rot. Bonds3

About 3-(3-chlorophenyl)sulfonyl-N-methylpyrazolo[1,5-a]pyrimidin-2-amine

3-(3-chlorophenyl)sulfonyl-N-methylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 53322935) has the molecular formula C13H11ClN4O2S and a molecular weight of 322.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-N-methylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-N-methylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID53322935
Molecular FormulaC13H11ClN4O2S
Molecular Weight322.78 g/mol
Exact Mass322.03
IUPAC Name3-(3-chlorophenyl)sulfonyl-N-methylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2cccnc2c1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H11ClN4O2S/c1-15-12-11(13-16-6-3-7-18(13)17-12)21(19,20)10-5-2-4-9(14)8-10/h2-8H,1H3,(H,15,17)
InChIKeyKPHVCQHKHZETCF-UHFFFAOYSA-N
XLogP2.26
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-N-methylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-N-methylpyrazolo[1,5-a]pyrimidin-2-amine (CID 53322935) is 3-(3-chlorophenyl)sulfonyl-N-methylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-N-methylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-N-methylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2cccnc2c1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-N-methylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is KPHVCQHKHZETCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2S/c1-15-12-11(13-16-6-3-7-18(13)17-12)21(19,20)10-5-2-4-9(14)8-10/h2-8H,1H3,(H,15,17).
What are the key properties of 3-(3-chlorophenyl)sulfonyl-N-methylpyrazolo[1,5-a]pyrimidin-2-amine?
3-(3-chlorophenyl)sulfonyl-N-methylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 322.78 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-N-methylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 53322935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).