3-acetyl-N-methylthiophene-2-sulfonamide

C7H9NO3S2 — CID 10632675

IUPAC3-acetyl-N-methylthiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1sccc1C(C)=O
InChIInChI=1S/C7H9NO3S2/c1-5(9)6-3-4-12-7(6)13(10,11)8-2/h3-4,8H,1-2H3
InChIKeyOTWLSKTWKAMLMQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.86
Rot. Bonds3

About 3-acetyl-N-methylthiophene-2-sulfonamide

3-acetyl-N-methylthiophene-2-sulfonamide (PubChem CID 10632675) has the molecular formula C7H9NO3S2 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-acetyl-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3-acetyl-N-methylthiophene-2-sulfonamide
PubChem CID10632675
Molecular FormulaC7H9NO3S2
Molecular Weight219.29 g/mol
Exact Mass219.00
IUPAC Name3-acetyl-N-methylthiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1sccc1C(C)=O
InChIInChI=1S/C7H9NO3S2/c1-5(9)6-3-4-12-7(6)13(10,11)8-2/h3-4,8H,1-2H3
InChIKeyOTWLSKTWKAMLMQ-UHFFFAOYSA-N
XLogP0.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-methylthiophene-2-sulfonamide?
The IUPAC name of 3-acetyl-N-methylthiophene-2-sulfonamide (CID 10632675) is 3-acetyl-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 3-acetyl-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 3-acetyl-N-methylthiophene-2-sulfonamide is CNS(=O)(=O)c1sccc1C(C)=O.
What is the InChIKey of 3-acetyl-N-methylthiophene-2-sulfonamide?
The InChIKey is OTWLSKTWKAMLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S2/c1-5(9)6-3-4-12-7(6)13(10,11)8-2/h3-4,8H,1-2H3.
What are the key properties of 3-acetyl-N-methylthiophene-2-sulfonamide?
3-acetyl-N-methylthiophene-2-sulfonamide has a molecular weight of 219.29 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 10632675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).