4-heptanoylthiophene-2-sulfonamide

C11H17NO3S2 — CID 10423541

IUPAC4-heptanoylthiophene-2-sulfonamide
SMILESCCCCCCC(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C11H17NO3S2/c1-2-3-4-5-6-10(13)9-7-11(16-8-9)17(12,14)15/h7-8H,2-6H2,1H3,(H2,12,14,15)
InChIKeyCJUBFDAFXFXZIS-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.55
Rot. Bonds7

About 4-heptanoylthiophene-2-sulfonamide

4-heptanoylthiophene-2-sulfonamide (PubChem CID 10423541) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-heptanoylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-heptanoylthiophene-2-sulfonamide
PubChem CID10423541
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC Name4-heptanoylthiophene-2-sulfonamide
SMILESCCCCCCC(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C11H17NO3S2/c1-2-3-4-5-6-10(13)9-7-11(16-8-9)17(12,14)15/h7-8H,2-6H2,1H3,(H2,12,14,15)
InChIKeyCJUBFDAFXFXZIS-UHFFFAOYSA-N
XLogP2.55
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.55
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 4-heptanoylthiophene-2-sulfonamide?
The IUPAC name of 4-heptanoylthiophene-2-sulfonamide (CID 10423541) is 4-heptanoylthiophene-2-sulfonamide.
What is the SMILES notation for 4-heptanoylthiophene-2-sulfonamide?
The canonical SMILES for 4-heptanoylthiophene-2-sulfonamide is CCCCCCC(=O)c1csc(S(N)(=O)=O)c1.
What is the InChIKey of 4-heptanoylthiophene-2-sulfonamide?
The InChIKey is CJUBFDAFXFXZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-2-3-4-5-6-10(13)9-7-11(16-8-9)17(12,14)15/h7-8H,2-6H2,1H3,(H2,12,14,15).
What are the key properties of 4-heptanoylthiophene-2-sulfonamide?
4-heptanoylthiophene-2-sulfonamide has a molecular weight of 275.39 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptanoylthiophene-2-sulfonamide is sourced from PubChem (CID 10423541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).