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

C5H5Br2NO2S2 — CID 16639998

IUPAC2,5-dibromo-N-methylthiophene-3-sulfonamide
SMILESCNS(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C5H5Br2NO2S2/c1-8-12(9,10)3-2-4(6)11-5(3)7/h2,8H,1H3
InChIKeyYXMHAMMSBBVRKK-UHFFFAOYSA-N
MW335.04 g/mol
LogP2.18
Rot. Bonds2

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

2,5-dibromo-N-methylthiophene-3-sulfonamide (PubChem CID 16639998) has the molecular formula C5H5Br2NO2S2 and a molecular weight of 335.04 g/mol. Its IUPAC name is 2,5-dibromo-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-methylthiophene-3-sulfonamide
PubChem CID16639998
Molecular FormulaC5H5Br2NO2S2
Molecular Weight335.04 g/mol
Exact Mass332.81
IUPAC Name2,5-dibromo-N-methylthiophene-3-sulfonamide
SMILESCNS(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C5H5Br2NO2S2/c1-8-12(9,10)3-2-4(6)11-5(3)7/h2,8H,1H3
InChIKeyYXMHAMMSBBVRKK-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

Analyze 2,5-dibromo-N-methylthiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-methylthiophene-3-sulfonamide?
The IUPAC name of 2,5-dibromo-N-methylthiophene-3-sulfonamide (CID 16639998) is 2,5-dibromo-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dibromo-N-methylthiophene-3-sulfonamide?
The canonical SMILES for 2,5-dibromo-N-methylthiophene-3-sulfonamide is CNS(=O)(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-methylthiophene-3-sulfonamide?
The InChIKey is YXMHAMMSBBVRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Br2NO2S2/c1-8-12(9,10)3-2-4(6)11-5(3)7/h2,8H,1H3.
What are the key properties of 2,5-dibromo-N-methylthiophene-3-sulfonamide?
2,5-dibromo-N-methylthiophene-3-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 2,5-dibromo-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 16639998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).