5-bromo-1-(4-methylphenyl)sulfonylthieno[3,2-d]pyrazole

C12H9BrN2O2S2 — CID 163698061

IUPAC5-bromo-1-(4-methylphenyl)sulfonylthieno[3,2-d]pyrazole
SMILESCc1ccc(S(=O)(=O)n2ncc3cc(Br)sc32)cc1
InChIInChI=1S/C12H9BrN2O2S2/c1-8-2-4-10(5-3-8)19(16,17)15-12-9(7-14-15)6-11(13)18-12/h2-7H,1H3
InChIKeyJYOZTNBQNUSBDF-UHFFFAOYSA-N
MW357.25 g/mol
LogP3.41
Rot. Bonds2

About 5-bromo-1-(4-methylphenyl)sulfonylthieno[3,2-d]pyrazole

5-bromo-1-(4-methylphenyl)sulfonylthieno[3,2-d]pyrazole (PubChem CID 163698061) has the molecular formula C12H9BrN2O2S2 and a molecular weight of 357.25 g/mol. Its IUPAC name is 5-bromo-1-(4-methylphenyl)sulfonylthieno[3,2-d]pyrazole.

Molecular Properties

Compound Name5-bromo-1-(4-methylphenyl)sulfonylthieno[3,2-d]pyrazole
PubChem CID163698061
Molecular FormulaC12H9BrN2O2S2
Molecular Weight357.25 g/mol
Exact Mass355.93
IUPAC Name5-bromo-1-(4-methylphenyl)sulfonylthieno[3,2-d]pyrazole
SMILESCc1ccc(S(=O)(=O)n2ncc3cc(Br)sc32)cc1
InChIInChI=1S/C12H9BrN2O2S2/c1-8-2-4-10(5-3-8)19(16,17)15-12-9(7-14-15)6-11(13)18-12/h2-7H,1H3
InChIKeyJYOZTNBQNUSBDF-UHFFFAOYSA-N
XLogP3.41
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonylthieno[3,2-d]pyrazole?
The IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonylthieno[3,2-d]pyrazole (CID 163698061) is 5-bromo-1-(4-methylphenyl)sulfonylthieno[3,2-d]pyrazole.
What is the SMILES notation for 5-bromo-1-(4-methylphenyl)sulfonylthieno[3,2-d]pyrazole?
The canonical SMILES for 5-bromo-1-(4-methylphenyl)sulfonylthieno[3,2-d]pyrazole is Cc1ccc(S(=O)(=O)n2ncc3cc(Br)sc32)cc1.
What is the InChIKey of 5-bromo-1-(4-methylphenyl)sulfonylthieno[3,2-d]pyrazole?
The InChIKey is JYOZTNBQNUSBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O2S2/c1-8-2-4-10(5-3-8)19(16,17)15-12-9(7-14-15)6-11(13)18-12/h2-7H,1H3.
What are the key properties of 5-bromo-1-(4-methylphenyl)sulfonylthieno[3,2-d]pyrazole?
5-bromo-1-(4-methylphenyl)sulfonylthieno[3,2-d]pyrazole has a molecular weight of 357.25 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-methylphenyl)sulfonylthieno[3,2-d]pyrazole is sourced from PubChem (CID 163698061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).