4-bromo-1-(5-chlorothiophen-2-yl)sulfonylpyrazole

C7H4BrClN2O2S2 — CID 22200738

IUPAC4-bromo-1-(5-chlorothiophen-2-yl)sulfonylpyrazole
SMILESO=S(=O)(c1ccc(Cl)s1)n1cc(Br)cn1
InChIInChI=1S/C7H4BrClN2O2S2/c8-5-3-10-11(4-5)15(12,13)7-2-1-6(9)14-7/h1-4H
InChIKeyBSQUVRFOIKVUME-UHFFFAOYSA-N
MW327.61 g/mol
LogP2.60
Rot. Bonds2

About 4-bromo-1-(5-chlorothiophen-2-yl)sulfonylpyrazole

4-bromo-1-(5-chlorothiophen-2-yl)sulfonylpyrazole (PubChem CID 22200738) has the molecular formula C7H4BrClN2O2S2 and a molecular weight of 327.61 g/mol. Its IUPAC name is 4-bromo-1-(5-chlorothiophen-2-yl)sulfonylpyrazole.

Molecular Properties

Compound Name4-bromo-1-(5-chlorothiophen-2-yl)sulfonylpyrazole
PubChem CID22200738
Molecular FormulaC7H4BrClN2O2S2
Molecular Weight327.61 g/mol
Exact Mass325.86
IUPAC Name4-bromo-1-(5-chlorothiophen-2-yl)sulfonylpyrazole
SMILESO=S(=O)(c1ccc(Cl)s1)n1cc(Br)cn1
InChIInChI=1S/C7H4BrClN2O2S2/c8-5-3-10-11(4-5)15(12,13)7-2-1-6(9)14-7/h1-4H
InChIKeyBSQUVRFOIKVUME-UHFFFAOYSA-N
XLogP2.60
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(5-chlorothiophen-2-yl)sulfonylpyrazole?
The IUPAC name of 4-bromo-1-(5-chlorothiophen-2-yl)sulfonylpyrazole (CID 22200738) is 4-bromo-1-(5-chlorothiophen-2-yl)sulfonylpyrazole.
What is the SMILES notation for 4-bromo-1-(5-chlorothiophen-2-yl)sulfonylpyrazole?
The canonical SMILES for 4-bromo-1-(5-chlorothiophen-2-yl)sulfonylpyrazole is O=S(=O)(c1ccc(Cl)s1)n1cc(Br)cn1.
What is the InChIKey of 4-bromo-1-(5-chlorothiophen-2-yl)sulfonylpyrazole?
The InChIKey is BSQUVRFOIKVUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClN2O2S2/c8-5-3-10-11(4-5)15(12,13)7-2-1-6(9)14-7/h1-4H.
What are the key properties of 4-bromo-1-(5-chlorothiophen-2-yl)sulfonylpyrazole?
4-bromo-1-(5-chlorothiophen-2-yl)sulfonylpyrazole has a molecular weight of 327.61 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(5-chlorothiophen-2-yl)sulfonylpyrazole is sourced from PubChem (CID 22200738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).