5-ethyl-N-[2-(4-fluorophenoxy)ethyl]thiophene-2-sulfonamide

C14H16FNO3S2 — CID 30867075

IUPAC5-ethyl-N-[2-(4-fluorophenoxy)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)s1
InChIInChI=1S/C14H16FNO3S2/c1-2-13-7-8-14(20-13)21(17,18)16-9-10-19-12-5-3-11(15)4-6-12/h3-8,16H,2,9-10H2,1H3
InChIKeySXTWSXCNKXMFNW-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.81
Rot. Bonds7

About 5-ethyl-N-[2-(4-fluorophenoxy)ethyl]thiophene-2-sulfonamide

5-ethyl-N-[2-(4-fluorophenoxy)ethyl]thiophene-2-sulfonamide (PubChem CID 30867075) has the molecular formula C14H16FNO3S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 5-ethyl-N-[2-(4-fluorophenoxy)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(4-fluorophenoxy)ethyl]thiophene-2-sulfonamide
PubChem CID30867075
Molecular FormulaC14H16FNO3S2
Molecular Weight329.42 g/mol
Exact Mass329.06
IUPAC Name5-ethyl-N-[2-(4-fluorophenoxy)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)s1
InChIInChI=1S/C14H16FNO3S2/c1-2-13-7-8-14(20-13)21(17,18)16-9-10-19-12-5-3-11(15)4-6-12/h3-8,16H,2,9-10H2,1H3
InChIKeySXTWSXCNKXMFNW-UHFFFAOYSA-N
XLogP2.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(4-fluorophenoxy)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[2-(4-fluorophenoxy)ethyl]thiophene-2-sulfonamide (CID 30867075) is 5-ethyl-N-[2-(4-fluorophenoxy)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[2-(4-fluorophenoxy)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[2-(4-fluorophenoxy)ethyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)s1.
What is the InChIKey of 5-ethyl-N-[2-(4-fluorophenoxy)ethyl]thiophene-2-sulfonamide?
The InChIKey is SXTWSXCNKXMFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S2/c1-2-13-7-8-14(20-13)21(17,18)16-9-10-19-12-5-3-11(15)4-6-12/h3-8,16H,2,9-10H2,1H3.
What are the key properties of 5-ethyl-N-[2-(4-fluorophenoxy)ethyl]thiophene-2-sulfonamide?
5-ethyl-N-[2-(4-fluorophenoxy)ethyl]thiophene-2-sulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(4-fluorophenoxy)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 30867075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).