4-acetyl-5-ethylthiophene-2-sulfonamide

C8H11NO3S2 — CID 91010473

IUPAC4-acetyl-5-ethylthiophene-2-sulfonamide
SMILESCCc1sc(S(N)(=O)=O)cc1C(C)=O
InChIInChI=1S/C8H11NO3S2/c1-3-7-6(5(2)10)4-8(13-7)14(9,11)12/h4H,3H2,1-2H3,(H2,9,11,12)
InChIKeyGXOJXPKMVKOMDI-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.16
Rot. Bonds3

About 4-acetyl-5-ethylthiophene-2-sulfonamide

4-acetyl-5-ethylthiophene-2-sulfonamide (PubChem CID 91010473) has the molecular formula C8H11NO3S2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-acetyl-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-acetyl-5-ethylthiophene-2-sulfonamide
PubChem CID91010473
Molecular FormulaC8H11NO3S2
Molecular Weight233.31 g/mol
Exact Mass233.02
IUPAC Name4-acetyl-5-ethylthiophene-2-sulfonamide
SMILESCCc1sc(S(N)(=O)=O)cc1C(C)=O
InChIInChI=1S/C8H11NO3S2/c1-3-7-6(5(2)10)4-8(13-7)14(9,11)12/h4H,3H2,1-2H3,(H2,9,11,12)
InChIKeyGXOJXPKMVKOMDI-UHFFFAOYSA-N
XLogP1.16
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-ethylthiophene-2-sulfonamide?
The IUPAC name of 4-acetyl-5-ethylthiophene-2-sulfonamide (CID 91010473) is 4-acetyl-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for 4-acetyl-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for 4-acetyl-5-ethylthiophene-2-sulfonamide is CCc1sc(S(N)(=O)=O)cc1C(C)=O.
What is the InChIKey of 4-acetyl-5-ethylthiophene-2-sulfonamide?
The InChIKey is GXOJXPKMVKOMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S2/c1-3-7-6(5(2)10)4-8(13-7)14(9,11)12/h4H,3H2,1-2H3,(H2,9,11,12).
What are the key properties of 4-acetyl-5-ethylthiophene-2-sulfonamide?
4-acetyl-5-ethylthiophene-2-sulfonamide has a molecular weight of 233.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 91010473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).