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

C8H9BrClNO2S2 — CID 2741063

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpyrrolidine
SMILESO=S(=O)(c1cc(Br)c(Cl)s1)N1CCCC1
InChIInChI=1S/C8H9BrClNO2S2/c9-6-5-7(14-8(6)10)15(12,13)11-3-1-2-4-11/h5H,1-4H2
InChIKeyXNZWJMPTHNRBTE-UHFFFAOYSA-N
MW330.66 g/mol
LogP2.95
Rot. Bonds2

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

1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpyrrolidine (PubChem CID 2741063) has the molecular formula C8H9BrClNO2S2 and a molecular weight of 330.66 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpyrrolidine
PubChem CID2741063
Molecular FormulaC8H9BrClNO2S2
Molecular Weight330.66 g/mol
Exact Mass328.89
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpyrrolidine
SMILESO=S(=O)(c1cc(Br)c(Cl)s1)N1CCCC1
InChIInChI=1S/C8H9BrClNO2S2/c9-6-5-7(14-8(6)10)15(12,13)11-3-1-2-4-11/h5H,1-4H2
InChIKeyXNZWJMPTHNRBTE-UHFFFAOYSA-N
XLogP2.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.66
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpyrrolidine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpyrrolidine (CID 2741063) is 1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpyrrolidine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpyrrolidine is O=S(=O)(c1cc(Br)c(Cl)s1)N1CCCC1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpyrrolidine?
The InChIKey is XNZWJMPTHNRBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO2S2/c9-6-5-7(14-8(6)10)15(12,13)11-3-1-2-4-11/h5H,1-4H2.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpyrrolidine?
1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpyrrolidine has a molecular weight of 330.66 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpyrrolidine is sourced from PubChem (CID 2741063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).