5-cyano-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-2-sulfonamide

C14H13FN2O2S2 — CID 106268674

IUPAC5-cyano-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc(C#N)s2)cc1F
InChIInChI=1S/C14H13FN2O2S2/c1-9-3-4-11(7-13(9)15)10(2)17-21(18,19)14-6-5-12(8-16)20-14/h3-7,10,17H,1-2H3
InChIKeySFFSAUFNQGKKCU-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.11
Rot. Bonds4

About 5-cyano-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-2-sulfonamide

5-cyano-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 106268674) has the molecular formula C14H13FN2O2S2 and a molecular weight of 324.40 g/mol. Its IUPAC name is 5-cyano-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID106268674
Molecular FormulaC14H13FN2O2S2
Molecular Weight324.40 g/mol
Exact Mass324.04
IUPAC Name5-cyano-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc(C#N)s2)cc1F
InChIInChI=1S/C14H13FN2O2S2/c1-9-3-4-11(7-13(9)15)10(2)17-21(18,19)14-6-5-12(8-16)20-14/h3-7,10,17H,1-2H3
InChIKeySFFSAUFNQGKKCU-UHFFFAOYSA-N
XLogP3.11
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-2-sulfonamide (CID 106268674) is 5-cyano-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-2-sulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2ccc(C#N)s2)cc1F.
What is the InChIKey of 5-cyano-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is SFFSAUFNQGKKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S2/c1-9-3-4-11(7-13(9)15)10(2)17-21(18,19)14-6-5-12(8-16)20-14/h3-7,10,17H,1-2H3.
What are the key properties of 5-cyano-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-2-sulfonamide?
5-cyano-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 324.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106268674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).