5-bromo-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide

C9H8BrNO2S3 — CID 6470222

IUPAC5-bromo-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc(Br)s1
InChIInChI=1S/C9H8BrNO2S3/c10-8-3-4-9(15-8)16(12,13)11-6-7-2-1-5-14-7/h1-5,11H,6H2
InChIKeyNCNAPAFOFUMZTP-UHFFFAOYSA-N
MW338.27 g/mol
LogP3.05
Rot. Bonds4

About 5-bromo-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide

5-bromo-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 6470222) has the molecular formula C9H8BrNO2S3 and a molecular weight of 338.27 g/mol. Its IUPAC name is 5-bromo-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID6470222
Molecular FormulaC9H8BrNO2S3
Molecular Weight338.27 g/mol
Exact Mass336.89
IUPAC Name5-bromo-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc(Br)s1
InChIInChI=1S/C9H8BrNO2S3/c10-8-3-4-9(15-8)16(12,13)11-6-7-2-1-5-14-7/h1-5,11H,6H2
InChIKeyNCNAPAFOFUMZTP-UHFFFAOYSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-(thiophen-2-ylmethyl)thiophene-2-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 5-bromo-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (CID 6470222) is 5-bromo-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCc1cccs1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is NCNAPAFOFUMZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2S3/c10-8-3-4-9(15-8)16(12,13)11-6-7-2-1-5-14-7/h1-5,11H,6H2.
What are the key properties of 5-bromo-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
5-bromo-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 338.27 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 6470222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).