2,5-dibromo-N,N-dimethylthiophene-3-sulfonamide

C6H7Br2NO2S2 — CID 60652197

IUPAC2,5-dibromo-N,N-dimethylthiophene-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C6H7Br2NO2S2/c1-9(2)13(10,11)4-3-5(7)12-6(4)8/h3H,1-2H3
InChIKeyJQNUJUGCTLOGSJ-UHFFFAOYSA-N
MW349.07 g/mol
LogP2.52
Rot. Bonds2

About 2,5-dibromo-N,N-dimethylthiophene-3-sulfonamide

2,5-dibromo-N,N-dimethylthiophene-3-sulfonamide (PubChem CID 60652197) has the molecular formula C6H7Br2NO2S2 and a molecular weight of 349.07 g/mol. Its IUPAC name is 2,5-dibromo-N,N-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N,N-dimethylthiophene-3-sulfonamide
PubChem CID60652197
Molecular FormulaC6H7Br2NO2S2
Molecular Weight349.07 g/mol
Exact Mass346.83
IUPAC Name2,5-dibromo-N,N-dimethylthiophene-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C6H7Br2NO2S2/c1-9(2)13(10,11)4-3-5(7)12-6(4)8/h3H,1-2H3
InChIKeyJQNUJUGCTLOGSJ-UHFFFAOYSA-N
XLogP2.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N,N-dimethylthiophene-3-sulfonamide?
The IUPAC name of 2,5-dibromo-N,N-dimethylthiophene-3-sulfonamide (CID 60652197) is 2,5-dibromo-N,N-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dibromo-N,N-dimethylthiophene-3-sulfonamide?
The canonical SMILES for 2,5-dibromo-N,N-dimethylthiophene-3-sulfonamide is CN(C)S(=O)(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N,N-dimethylthiophene-3-sulfonamide?
The InChIKey is JQNUJUGCTLOGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Br2NO2S2/c1-9(2)13(10,11)4-3-5(7)12-6(4)8/h3H,1-2H3.
What are the key properties of 2,5-dibromo-N,N-dimethylthiophene-3-sulfonamide?
2,5-dibromo-N,N-dimethylthiophene-3-sulfonamide has a molecular weight of 349.07 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N,N-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 60652197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).