3-(benzenesulfonyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine

C13H12N4O4S2 — CID 1480583

IUPAC3-(benzenesulfonyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCS(=O)(=O)c1cnc2c(S(=O)(=O)c3ccccc3)cnn2c1N
InChIInChI=1S/C13H12N4O4S2/c1-22(18,19)10-7-15-13-11(8-16-17(13)12(10)14)23(20,21)9-5-3-2-4-6-9/h2-8H,14H2,1H3
InChIKeyRSGMUZPHVSCTBW-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.55
Rot. Bonds3

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

3-(benzenesulfonyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1480583) has the molecular formula C13H12N4O4S2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID1480583
Molecular FormulaC13H12N4O4S2
Molecular Weight352.40 g/mol
Exact Mass352.03
IUPAC Name3-(benzenesulfonyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCS(=O)(=O)c1cnc2c(S(=O)(=O)c3ccccc3)cnn2c1N
InChIInChI=1S/C13H12N4O4S2/c1-22(18,19)10-7-15-13-11(8-16-17(13)12(10)14)23(20,21)9-5-3-2-4-6-9/h2-8H,14H2,1H3
InChIKeyRSGMUZPHVSCTBW-UHFFFAOYSA-N
XLogP0.55
TPSA124.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(benzenesulfonyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine (CID 1480583) is 3-(benzenesulfonyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(benzenesulfonyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine is CS(=O)(=O)c1cnc2c(S(=O)(=O)c3ccccc3)cnn2c1N.
What is the InChIKey of 3-(benzenesulfonyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RSGMUZPHVSCTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4S2/c1-22(18,19)10-7-15-13-11(8-16-17(13)12(10)14)23(20,21)9-5-3-2-4-6-9/h2-8H,14H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(benzenesulfonyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 352.40 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1480583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).