5-methylsulfonylthiophene-2-carboxamide

C6H7NO3S2 — CID 12836070

IUPAC5-methylsulfonylthiophene-2-carboxamide
SMILESCS(=O)(=O)c1ccc(C(N)=O)s1
InChIInChI=1S/C6H7NO3S2/c1-12(9,10)5-3-2-4(11-5)6(7)8/h2-3H,1H3,(H2,7,8)
InChIKeyPWIFFAJTUHHJEJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.25
Rot. Bonds2

About 5-methylsulfonylthiophene-2-carboxamide

5-methylsulfonylthiophene-2-carboxamide (PubChem CID 12836070) has the molecular formula C6H7NO3S2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-methylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-methylsulfonylthiophene-2-carboxamide
PubChem CID12836070
Molecular FormulaC6H7NO3S2
Molecular Weight205.26 g/mol
Exact Mass204.99
IUPAC Name5-methylsulfonylthiophene-2-carboxamide
SMILESCS(=O)(=O)c1ccc(C(N)=O)s1
InChIInChI=1S/C6H7NO3S2/c1-12(9,10)5-3-2-4(11-5)6(7)8/h2-3H,1H3,(H2,7,8)
InChIKeyPWIFFAJTUHHJEJ-UHFFFAOYSA-N
XLogP0.25
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonylthiophene-2-carboxamide?
The IUPAC name of 5-methylsulfonylthiophene-2-carboxamide (CID 12836070) is 5-methylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 5-methylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 5-methylsulfonylthiophene-2-carboxamide is CS(=O)(=O)c1ccc(C(N)=O)s1.
What is the InChIKey of 5-methylsulfonylthiophene-2-carboxamide?
The InChIKey is PWIFFAJTUHHJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S2/c1-12(9,10)5-3-2-4(11-5)6(7)8/h2-3H,1H3,(H2,7,8).
What are the key properties of 5-methylsulfonylthiophene-2-carboxamide?
5-methylsulfonylthiophene-2-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 12836070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).