4,5-dibromo-N-methylthiophene-2-sulfonamide

C5H5Br2NO2S2 — CID 16637569

IUPAC4,5-dibromo-N-methylthiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C5H5Br2NO2S2/c1-8-12(9,10)4-2-3(6)5(7)11-4/h2,8H,1H3
InChIKeyCPNAKWQOXSRFIB-UHFFFAOYSA-N
MW335.04 g/mol
LogP2.18
Rot. Bonds2

About 4,5-dibromo-N-methylthiophene-2-sulfonamide

4,5-dibromo-N-methylthiophene-2-sulfonamide (PubChem CID 16637569) has the molecular formula C5H5Br2NO2S2 and a molecular weight of 335.04 g/mol. Its IUPAC name is 4,5-dibromo-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dibromo-N-methylthiophene-2-sulfonamide
PubChem CID16637569
Molecular FormulaC5H5Br2NO2S2
Molecular Weight335.04 g/mol
Exact Mass332.81
IUPAC Name4,5-dibromo-N-methylthiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C5H5Br2NO2S2/c1-8-12(9,10)4-2-3(6)5(7)11-4/h2,8H,1H3
InChIKeyCPNAKWQOXSRFIB-UHFFFAOYSA-N
XLogP2.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.04
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-methylthiophene-2-sulfonamide?
The IUPAC name of 4,5-dibromo-N-methylthiophene-2-sulfonamide (CID 16637569) is 4,5-dibromo-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dibromo-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 4,5-dibromo-N-methylthiophene-2-sulfonamide is CNS(=O)(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-methylthiophene-2-sulfonamide?
The InChIKey is CPNAKWQOXSRFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Br2NO2S2/c1-8-12(9,10)4-2-3(6)5(7)11-4/h2,8H,1H3.
What are the key properties of 4,5-dibromo-N-methylthiophene-2-sulfonamide?
4,5-dibromo-N-methylthiophene-2-sulfonamide has a molecular weight of 335.04 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 16637569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).