1-(5-bromothiophen-2-yl)sulfonylpyrazole

C7H5BrN2O2S2 — CID 3237735

IUPAC1-(5-bromothiophen-2-yl)sulfonylpyrazole
SMILESO=S(=O)(c1ccc(Br)s1)n1cccn1
InChIInChI=1S/C7H5BrN2O2S2/c8-6-2-3-7(13-6)14(11,12)10-5-1-4-9-10/h1-5H
InChIKeyMLRBBGFHILYDBK-UHFFFAOYSA-N
MW293.17 g/mol
LogP1.94
Rot. Bonds2

About 1-(5-bromothiophen-2-yl)sulfonylpyrazole

1-(5-bromothiophen-2-yl)sulfonylpyrazole (PubChem CID 3237735) has the molecular formula C7H5BrN2O2S2 and a molecular weight of 293.17 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonylpyrazole.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonylpyrazole
PubChem CID3237735
Molecular FormulaC7H5BrN2O2S2
Molecular Weight293.17 g/mol
Exact Mass291.90
IUPAC Name1-(5-bromothiophen-2-yl)sulfonylpyrazole
SMILESO=S(=O)(c1ccc(Br)s1)n1cccn1
InChIInChI=1S/C7H5BrN2O2S2/c8-6-2-3-7(13-6)14(11,12)10-5-1-4-9-10/h1-5H
InChIKeyMLRBBGFHILYDBK-UHFFFAOYSA-N
XLogP1.94
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonylpyrazole?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonylpyrazole (CID 3237735) is 1-(5-bromothiophen-2-yl)sulfonylpyrazole.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonylpyrazole?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonylpyrazole is O=S(=O)(c1ccc(Br)s1)n1cccn1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonylpyrazole?
The InChIKey is MLRBBGFHILYDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O2S2/c8-6-2-3-7(13-6)14(11,12)10-5-1-4-9-10/h1-5H.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonylpyrazole?
1-(5-bromothiophen-2-yl)sulfonylpyrazole has a molecular weight of 293.17 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonylpyrazole is sourced from PubChem (CID 3237735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).