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

C16H18N4O4S2 — CID 1480584

IUPAC3-(benzenesulfonyl)-6-tert-butylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)S(=O)(=O)c1cnc2c(S(=O)(=O)c3ccccc3)cnn2c1N
InChIInChI=1S/C16H18N4O4S2/c1-16(2,3)26(23,24)12-9-18-15-13(10-19-20(15)14(12)17)25(21,22)11-7-5-4-6-8-11/h4-10H,17H2,1-3H3
InChIKeyMWCPLOLZTBLQDC-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.72
Rot. Bonds3

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

3-(benzenesulfonyl)-6-tert-butylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1480584) has the molecular formula C16H18N4O4S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-6-tert-butylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-6-tert-butylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID1480584
Molecular FormulaC16H18N4O4S2
Molecular Weight394.48 g/mol
Exact Mass394.08
IUPAC Name3-(benzenesulfonyl)-6-tert-butylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)S(=O)(=O)c1cnc2c(S(=O)(=O)c3ccccc3)cnn2c1N
InChIInChI=1S/C16H18N4O4S2/c1-16(2,3)26(23,24)12-9-18-15-13(10-19-20(15)14(12)17)25(21,22)11-7-5-4-6-8-11/h4-10H,17H2,1-3H3
InChIKeyMWCPLOLZTBLQDC-UHFFFAOYSA-N
XLogP1.72
TPSA124.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-6-tert-butylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(benzenesulfonyl)-6-tert-butylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine (CID 1480584) is 3-(benzenesulfonyl)-6-tert-butylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-6-tert-butylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(benzenesulfonyl)-6-tert-butylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine is CC(C)(C)S(=O)(=O)c1cnc2c(S(=O)(=O)c3ccccc3)cnn2c1N.
What is the InChIKey of 3-(benzenesulfonyl)-6-tert-butylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MWCPLOLZTBLQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S2/c1-16(2,3)26(23,24)12-9-18-15-13(10-19-20(15)14(12)17)25(21,22)11-7-5-4-6-8-11/h4-10H,17H2,1-3H3.
What are the key properties of 3-(benzenesulfonyl)-6-tert-butylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(benzenesulfonyl)-6-tert-butylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 394.48 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-6-tert-butylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1480584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).