5-cyano-N-ethyl-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide

C15H15FN2O2S2 — CID 176509319

IUPAC5-cyano-N-ethyl-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCCN(C(C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C15H15FN2O2S2/c1-3-18(11(2)12-4-6-13(16)7-5-12)22(19,20)15-9-8-14(10-17)21-15/h4-9,11H,3H2,1-2H3
InChIKeyBWXUENJCDNGEBP-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.53
Rot. Bonds5

About 5-cyano-N-ethyl-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide

5-cyano-N-ethyl-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 176509319) has the molecular formula C15H15FN2O2S2 and a molecular weight of 338.43 g/mol. Its IUPAC name is 5-cyano-N-ethyl-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-ethyl-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
PubChem CID176509319
Molecular FormulaC15H15FN2O2S2
Molecular Weight338.43 g/mol
Exact Mass338.06
IUPAC Name5-cyano-N-ethyl-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCCN(C(C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C15H15FN2O2S2/c1-3-18(11(2)12-4-6-13(16)7-5-12)22(19,20)15-9-8-14(10-17)21-15/h4-9,11H,3H2,1-2H3
InChIKeyBWXUENJCDNGEBP-UHFFFAOYSA-N
XLogP3.53
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-ethyl-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-ethyl-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide (CID 176509319) is 5-cyano-N-ethyl-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-ethyl-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-ethyl-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide is CCN(C(C)c1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-ethyl-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is BWXUENJCDNGEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S2/c1-3-18(11(2)12-4-6-13(16)7-5-12)22(19,20)15-9-8-14(10-17)21-15/h4-9,11H,3H2,1-2H3.
What are the key properties of 5-cyano-N-ethyl-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
5-cyano-N-ethyl-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-ethyl-N-[1-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 176509319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).