4-pentanoylthiophene-2-sulfonamide

C9H13NO3S2 — CID 11776737

IUPAC4-pentanoylthiophene-2-sulfonamide
SMILESCCCCC(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C9H13NO3S2/c1-2-3-4-8(11)7-5-9(14-6-7)15(10,12)13/h5-6H,2-4H2,1H3,(H2,10,12,13)
InChIKeyDKLJICMKPVFEQM-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.77
Rot. Bonds5

About 4-pentanoylthiophene-2-sulfonamide

4-pentanoylthiophene-2-sulfonamide (PubChem CID 11776737) has the molecular formula C9H13NO3S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-pentanoylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-pentanoylthiophene-2-sulfonamide
PubChem CID11776737
Molecular FormulaC9H13NO3S2
Molecular Weight247.34 g/mol
Exact Mass247.03
IUPAC Name4-pentanoylthiophene-2-sulfonamide
SMILESCCCCC(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C9H13NO3S2/c1-2-3-4-8(11)7-5-9(14-6-7)15(10,12)13/h5-6H,2-4H2,1H3,(H2,10,12,13)
InChIKeyDKLJICMKPVFEQM-UHFFFAOYSA-N
XLogP1.77
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-pentanoylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-pentanoylthiophene-2-sulfonamide?
The IUPAC name of 4-pentanoylthiophene-2-sulfonamide (CID 11776737) is 4-pentanoylthiophene-2-sulfonamide.
What is the SMILES notation for 4-pentanoylthiophene-2-sulfonamide?
The canonical SMILES for 4-pentanoylthiophene-2-sulfonamide is CCCCC(=O)c1csc(S(N)(=O)=O)c1.
What is the InChIKey of 4-pentanoylthiophene-2-sulfonamide?
The InChIKey is DKLJICMKPVFEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S2/c1-2-3-4-8(11)7-5-9(14-6-7)15(10,12)13/h5-6H,2-4H2,1H3,(H2,10,12,13).
What are the key properties of 4-pentanoylthiophene-2-sulfonamide?
4-pentanoylthiophene-2-sulfonamide has a molecular weight of 247.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentanoylthiophene-2-sulfonamide is sourced from PubChem (CID 11776737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).