5-bromothiophene-2-sulfonamide

C4H4BrNO2S2 — CID 1241304

IUPAC5-bromothiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C4H4BrNO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H2,6,7,8)
InChIKeyWXJQQLDICAOBJB-UHFFFAOYSA-N
MW242.12 g/mol
LogP1.16
Rot. Bonds1

About 5-bromothiophene-2-sulfonamide

5-bromothiophene-2-sulfonamide (PubChem CID 1241304) has the molecular formula C4H4BrNO2S2 and a molecular weight of 242.12 g/mol. Its IUPAC name is 5-bromothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromothiophene-2-sulfonamide
PubChem CID1241304
Molecular FormulaC4H4BrNO2S2
Molecular Weight242.12 g/mol
Exact Mass240.89
IUPAC Name5-bromothiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C4H4BrNO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H2,6,7,8)
InChIKeyWXJQQLDICAOBJB-UHFFFAOYSA-N
XLogP1.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromothiophene-2-sulfonamide?
The IUPAC name of 5-bromothiophene-2-sulfonamide (CID 1241304) is 5-bromothiophene-2-sulfonamide.
What is the SMILES notation for 5-bromothiophene-2-sulfonamide?
The canonical SMILES for 5-bromothiophene-2-sulfonamide is NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromothiophene-2-sulfonamide?
The InChIKey is WXJQQLDICAOBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H2,6,7,8).
What are the key properties of 5-bromothiophene-2-sulfonamide?
5-bromothiophene-2-sulfonamide has a molecular weight of 242.12 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromothiophene-2-sulfonamide is sourced from PubChem (CID 1241304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).