N-pentan-2-ylthiophene-2-sulfonamide

C9H15NO2S2 — CID 2957100

IUPACN-pentan-2-ylthiophene-2-sulfonamide
SMILESCCCC(C)NS(=O)(=O)c1cccs1
InChIInChI=1S/C9H15NO2S2/c1-3-5-8(2)10-14(11,12)9-6-4-7-13-9/h4,6-8,10H,3,5H2,1-2H3
InChIKeyMJAFVJNGXSIHLG-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.21
Rot. Bonds5

About N-pentan-2-ylthiophene-2-sulfonamide

N-pentan-2-ylthiophene-2-sulfonamide (PubChem CID 2957100) has the molecular formula C9H15NO2S2 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-pentan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-pentan-2-ylthiophene-2-sulfonamide
PubChem CID2957100
Molecular FormulaC9H15NO2S2
Molecular Weight233.36 g/mol
Exact Mass233.05
IUPAC NameN-pentan-2-ylthiophene-2-sulfonamide
SMILESCCCC(C)NS(=O)(=O)c1cccs1
InChIInChI=1S/C9H15NO2S2/c1-3-5-8(2)10-14(11,12)9-6-4-7-13-9/h4,6-8,10H,3,5H2,1-2H3
InChIKeyMJAFVJNGXSIHLG-UHFFFAOYSA-N
XLogP2.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pentan-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-pentan-2-ylthiophene-2-sulfonamide (CID 2957100) is N-pentan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-pentan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-pentan-2-ylthiophene-2-sulfonamide is CCCC(C)NS(=O)(=O)c1cccs1.
What is the InChIKey of N-pentan-2-ylthiophene-2-sulfonamide?
The InChIKey is MJAFVJNGXSIHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S2/c1-3-5-8(2)10-14(11,12)9-6-4-7-13-9/h4,6-8,10H,3,5H2,1-2H3.
What are the key properties of N-pentan-2-ylthiophene-2-sulfonamide?
N-pentan-2-ylthiophene-2-sulfonamide has a molecular weight of 233.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 2957100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).