3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfinylpyrazolo[1,5-a]pyrimidine

C15H15N3O3S2 — CID 52915984

IUPAC3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfinylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(S(C)=O)c(S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C15H15N3O3S2/c1-10-9-11(2)18-14(16-10)13(15(17-18)22(3)19)23(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3
InChIKeyWRKUKFHEVGZXKW-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.92
Rot. Bonds3

About 3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfinylpyrazolo[1,5-a]pyrimidine

3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfinylpyrazolo[1,5-a]pyrimidine (PubChem CID 52915984) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfinylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfinylpyrazolo[1,5-a]pyrimidine
PubChem CID52915984
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC Name3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfinylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(S(C)=O)c(S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C15H15N3O3S2/c1-10-9-11(2)18-14(16-10)13(15(17-18)22(3)19)23(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3
InChIKeyWRKUKFHEVGZXKW-UHFFFAOYSA-N
XLogP1.92
TPSA81.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfinylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfinylpyrazolo[1,5-a]pyrimidine (CID 52915984) is 3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfinylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfinylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfinylpyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(S(C)=O)c(S(=O)(=O)c3ccccc3)c2n1.
What is the InChIKey of 3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfinylpyrazolo[1,5-a]pyrimidine?
The InChIKey is WRKUKFHEVGZXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-10-9-11(2)18-14(16-10)13(15(17-18)22(3)19)23(20,21)12-7-5-4-6-8-12/h4-9H,1-3H3.
What are the key properties of 3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfinylpyrazolo[1,5-a]pyrimidine?
3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfinylpyrazolo[1,5-a]pyrimidine has a molecular weight of 349.44 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfinylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 52915984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).