1-(benzenesulfonyl)-2,5-dibromopyrrole

C10H7Br2NO2S — CID 71523732

IUPAC1-(benzenesulfonyl)-2,5-dibromopyrrole
SMILESO=S(=O)(c1ccccc1)n1c(Br)ccc1Br
InChIInChI=1S/C10H7Br2NO2S/c11-9-6-7-10(12)13(9)16(14,15)8-4-2-1-3-5-8/h1-7H
InChIKeyIUYWHVIPZMHGAB-UHFFFAOYSA-N
MW365.05 g/mol
LogP3.25
Rot. Bonds2

About 1-(benzenesulfonyl)-2,5-dibromopyrrole

1-(benzenesulfonyl)-2,5-dibromopyrrole (PubChem CID 71523732) has the molecular formula C10H7Br2NO2S and a molecular weight of 365.05 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2,5-dibromopyrrole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2,5-dibromopyrrole
PubChem CID71523732
Molecular FormulaC10H7Br2NO2S
Molecular Weight365.05 g/mol
Exact Mass362.86
IUPAC Name1-(benzenesulfonyl)-2,5-dibromopyrrole
SMILESO=S(=O)(c1ccccc1)n1c(Br)ccc1Br
InChIInChI=1S/C10H7Br2NO2S/c11-9-6-7-10(12)13(9)16(14,15)8-4-2-1-3-5-8/h1-7H
InChIKeyIUYWHVIPZMHGAB-UHFFFAOYSA-N
XLogP3.25
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.05
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromo-5-methylpyrrol-1-yl)sulfonylpyridine
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1-(benzenesulfonyl)-2-bromo-6-chloropyrrolo[2,3-b]pyridine
CID 121228695
7-(benzenesulfonyl)-6-bromo-4-chloro-2-methylpyrrolo[2,3-d]pyrimidine
CID 155686533
(2R,3R)-1-(benzenesulfonyl)-2,3-diethylaziridine
CID 165347301
CID 88588324
CID 88588324
1-(benzenesulfonyl)-3-bromo-4-methylpyrrole
CID 122370030
1-(benzenesulfonyl)-4-bromopyrazole
CID 6468394
1-(benzenesulfonyl)-3-bromo-2-methylpyrrole
CID 123539756
1-(benzenesulfonyl)-2,3-bis(chloromethyl)indole
CID 10428188
1-(benzenesulfonyl)-5-bromoindole-2-sulfonyl chloride
CID 88924862
1,3-bis(benzenesulfonyl)imidazolidine
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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2,5-dibromopyrrole?
The IUPAC name of 1-(benzenesulfonyl)-2,5-dibromopyrrole (CID 71523732) is 1-(benzenesulfonyl)-2,5-dibromopyrrole.
What is the SMILES notation for 1-(benzenesulfonyl)-2,5-dibromopyrrole?
The canonical SMILES for 1-(benzenesulfonyl)-2,5-dibromopyrrole is O=S(=O)(c1ccccc1)n1c(Br)ccc1Br.
What is the InChIKey of 1-(benzenesulfonyl)-2,5-dibromopyrrole?
The InChIKey is IUYWHVIPZMHGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2NO2S/c11-9-6-7-10(12)13(9)16(14,15)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 1-(benzenesulfonyl)-2,5-dibromopyrrole?
1-(benzenesulfonyl)-2,5-dibromopyrrole has a molecular weight of 365.05 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2,5-dibromopyrrole is sourced from PubChem (CID 71523732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).