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

C15H16FNO2S2 — CID 21098662

IUPAC5-ethenyl-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide
SMILESC=Cc1cc(S(=O)(=O)N(C)CCc2ccc(F)cc2)cs1
InChIInChI=1S/C15H16FNO2S2/c1-3-14-10-15(11-20-14)21(18,19)17(2)9-8-12-4-6-13(16)7-5-12/h3-7,10-11H,1,8-9H2,2H3
InChIKeyUFXGSHLYOLYILE-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.39
Rot. Bonds6

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

5-ethenyl-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide (PubChem CID 21098662) has the molecular formula C15H16FNO2S2 and a molecular weight of 325.43 g/mol. Its IUPAC name is 5-ethenyl-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-ethenyl-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide
PubChem CID21098662
Molecular FormulaC15H16FNO2S2
Molecular Weight325.43 g/mol
Exact Mass325.06
IUPAC Name5-ethenyl-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide
SMILESC=Cc1cc(S(=O)(=O)N(C)CCc2ccc(F)cc2)cs1
InChIInChI=1S/C15H16FNO2S2/c1-3-14-10-15(11-20-14)21(18,19)17(2)9-8-12-4-6-13(16)7-5-12/h3-7,10-11H,1,8-9H2,2H3
InChIKeyUFXGSHLYOLYILE-UHFFFAOYSA-N
XLogP3.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide?
The IUPAC name of 5-ethenyl-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide (CID 21098662) is 5-ethenyl-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-ethenyl-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-ethenyl-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide is C=Cc1cc(S(=O)(=O)N(C)CCc2ccc(F)cc2)cs1.
What is the InChIKey of 5-ethenyl-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide?
The InChIKey is UFXGSHLYOLYILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S2/c1-3-14-10-15(11-20-14)21(18,19)17(2)9-8-12-4-6-13(16)7-5-12/h3-7,10-11H,1,8-9H2,2H3.
What are the key properties of 5-ethenyl-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide?
5-ethenyl-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide has a molecular weight of 325.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 21098662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).