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

C14H14FNO3S2 — CID 21098644

IUPAC5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCc2ccc(F)cc2)s1
InChIInChI=1S/C14H14FNO3S2/c1-10(17)13-6-7-14(20-13)21(18,19)16-9-8-11-2-4-12(15)5-3-11/h2-7,16H,8-9H2,1H3
InChIKeyDXMCGZBDBHMQHL-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.61
Rot. Bonds6

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

5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 21098644) has the molecular formula C14H14FNO3S2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
PubChem CID21098644
Molecular FormulaC14H14FNO3S2
Molecular Weight327.40 g/mol
Exact Mass327.04
IUPAC Name5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCc2ccc(F)cc2)s1
InChIInChI=1S/C14H14FNO3S2/c1-10(17)13-6-7-14(20-13)21(18,19)16-9-8-11-2-4-12(15)5-3-11/h2-7,16H,8-9H2,1H3
InChIKeyDXMCGZBDBHMQHL-UHFFFAOYSA-N
XLogP2.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide (CID 21098644) is 5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide is CC(=O)c1ccc(S(=O)(=O)NCCc2ccc(F)cc2)s1.
What is the InChIKey of 5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is DXMCGZBDBHMQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S2/c1-10(17)13-6-7-14(20-13)21(18,19)16-9-8-11-2-4-12(15)5-3-11/h2-7,16H,8-9H2,1H3.
What are the key properties of 5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide?
5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 327.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[2-(4-fluorophenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 21098644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).