3-(4-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine

C15H14ClN3O2S2 — CID 53322259

IUPAC3-(4-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
SMILESCSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O2S2/c1-9-8-10(2)19-14(17-9)13(15(18-19)22-3)23(20,21)12-6-4-11(16)5-7-12/h4-8H,1-3H3
InChIKeyNBASEYFJBAVLDK-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.55
Rot. Bonds3

About 3-(4-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine

3-(4-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine (PubChem CID 53322259) has the molecular formula C15H14ClN3O2S2 and a molecular weight of 367.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
PubChem CID53322259
Molecular FormulaC15H14ClN3O2S2
Molecular Weight367.88 g/mol
Exact Mass367.02
IUPAC Name3-(4-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
SMILESCSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O2S2/c1-9-8-10(2)19-14(17-9)13(15(18-19)22-3)23(20,21)12-6-4-11(16)5-7-12/h4-8H,1-3H3
InChIKeyNBASEYFJBAVLDK-UHFFFAOYSA-N
XLogP3.55
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine (CID 53322259) is 3-(4-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine is CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine?
The InChIKey is NBASEYFJBAVLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S2/c1-9-8-10(2)19-14(17-9)13(15(18-19)22-3)23(20,21)12-6-4-11(16)5-7-12/h4-8H,1-3H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine?
3-(4-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine has a molecular weight of 367.88 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 53322259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).