5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide

C13H13BrFNO2S2 — CID 86600990

IUPAC5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CCc1ccc(F)cc1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C13H13BrFNO2S2/c1-16(9-8-10-2-4-11(15)5-3-10)20(17,18)13-7-6-12(14)19-13/h2-7H,8-9H2,1H3
InChIKeyFOZYJWCRTMLSMF-UHFFFAOYSA-N
MW378.29 g/mol
LogP3.51
Rot. Bonds5

About 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide

5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide (PubChem CID 86600990) has the molecular formula C13H13BrFNO2S2 and a molecular weight of 378.29 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide
PubChem CID86600990
Molecular FormulaC13H13BrFNO2S2
Molecular Weight378.29 g/mol
Exact Mass376.96
IUPAC Name5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide
SMILESCN(CCc1ccc(F)cc1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C13H13BrFNO2S2/c1-16(9-8-10-2-4-11(15)5-3-10)20(17,18)13-7-6-12(14)19-13/h2-7H,8-9H2,1H3
InChIKeyFOZYJWCRTMLSMF-UHFFFAOYSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-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-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide (CID 86600990) is 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide is CN(CCc1ccc(F)cc1)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is FOZYJWCRTMLSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO2S2/c1-16(9-8-10-2-4-11(15)5-3-10)20(17,18)13-7-6-12(14)19-13/h2-7H,8-9H2,1H3.
What are the key properties of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide?
5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 378.29 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 86600990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).