5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide

C13H13BrFNO2S2 — CID 91345669

IUPAC5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide
SMILESCN(CCc1ccc(F)cc1)S(=O)(=O)c1csc(Br)c1
InChIInChI=1S/C13H13BrFNO2S2/c1-16(7-6-10-2-4-11(15)5-3-10)20(17,18)12-8-13(14)19-9-12/h2-5,8-9H,6-7H2,1H3
InChIKeyCNBZZFBRGSONPX-UHFFFAOYSA-N
MW378.29 g/mol
LogP3.51
Rot. Bonds5

About 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide

5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide (PubChem CID 91345669) 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-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide
PubChem CID91345669
Molecular FormulaC13H13BrFNO2S2
Molecular Weight378.29 g/mol
Exact Mass376.96
IUPAC Name5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide
SMILESCN(CCc1ccc(F)cc1)S(=O)(=O)c1csc(Br)c1
InChIInChI=1S/C13H13BrFNO2S2/c1-16(7-6-10-2-4-11(15)5-3-10)20(17,18)12-8-13(14)19-9-12/h2-5,8-9H,6-7H2,1H3
InChIKeyCNBZZFBRGSONPX-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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide (CID 91345669) is 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide is CN(CCc1ccc(F)cc1)S(=O)(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide?
The InChIKey is CNBZZFBRGSONPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO2S2/c1-16(7-6-10-2-4-11(15)5-3-10)20(17,18)12-8-13(14)19-9-12/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide?
5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-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-3-sulfonamide is sourced from PubChem (CID 91345669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).