2-(5-bromothiophen-2-yl)sulfonyl-1H-pyrrole

C8H6BrNO2S2 — CID 140985118

IUPAC2-(5-bromothiophen-2-yl)sulfonyl-1H-pyrrole
SMILESO=S(=O)(c1ccc[nH]1)c1ccc(Br)s1
InChIInChI=1S/C8H6BrNO2S2/c9-6-3-4-8(13-6)14(11,12)7-2-1-5-10-7/h1-5,10H
InChIKeyHWUANUXJTBVDDV-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.67
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)sulfonyl-1H-pyrrole

2-(5-bromothiophen-2-yl)sulfonyl-1H-pyrrole (PubChem CID 140985118) has the molecular formula C8H6BrNO2S2 and a molecular weight of 292.18 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)sulfonyl-1H-pyrrole.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)sulfonyl-1H-pyrrole
PubChem CID140985118
Molecular FormulaC8H6BrNO2S2
Molecular Weight292.18 g/mol
Exact Mass290.90
IUPAC Name2-(5-bromothiophen-2-yl)sulfonyl-1H-pyrrole
SMILESO=S(=O)(c1ccc[nH]1)c1ccc(Br)s1
InChIInChI=1S/C8H6BrNO2S2/c9-6-3-4-8(13-6)14(11,12)7-2-1-5-10-7/h1-5,10H
InChIKeyHWUANUXJTBVDDV-UHFFFAOYSA-N
XLogP2.67
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)sulfonyl-1H-pyrrole?
The IUPAC name of 2-(5-bromothiophen-2-yl)sulfonyl-1H-pyrrole (CID 140985118) is 2-(5-bromothiophen-2-yl)sulfonyl-1H-pyrrole.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)sulfonyl-1H-pyrrole?
The canonical SMILES for 2-(5-bromothiophen-2-yl)sulfonyl-1H-pyrrole is O=S(=O)(c1ccc[nH]1)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)sulfonyl-1H-pyrrole?
The InChIKey is HWUANUXJTBVDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO2S2/c9-6-3-4-8(13-6)14(11,12)7-2-1-5-10-7/h1-5,10H.
What are the key properties of 2-(5-bromothiophen-2-yl)sulfonyl-1H-pyrrole?
2-(5-bromothiophen-2-yl)sulfonyl-1H-pyrrole has a molecular weight of 292.18 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)sulfonyl-1H-pyrrole is sourced from PubChem (CID 140985118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).