5-ethylsulfonylthiophene-2-carboxamide

C7H9NO3S2 — CID 175262367

IUPAC5-ethylsulfonylthiophene-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(C(N)=O)s1
InChIInChI=1S/C7H9NO3S2/c1-2-13(10,11)6-4-3-5(12-6)7(8)9/h3-4H,2H2,1H3,(H2,8,9)
InChIKeyQVPZSVIVTONSDL-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.64
Rot. Bonds3

About 5-ethylsulfonylthiophene-2-carboxamide

5-ethylsulfonylthiophene-2-carboxamide (PubChem CID 175262367) has the molecular formula C7H9NO3S2 and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-ethylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethylsulfonylthiophene-2-carboxamide
PubChem CID175262367
Molecular FormulaC7H9NO3S2
Molecular Weight219.29 g/mol
Exact Mass219.00
IUPAC Name5-ethylsulfonylthiophene-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(C(N)=O)s1
InChIInChI=1S/C7H9NO3S2/c1-2-13(10,11)6-4-3-5(12-6)7(8)9/h3-4H,2H2,1H3,(H2,8,9)
InChIKeyQVPZSVIVTONSDL-UHFFFAOYSA-N
XLogP0.64
TPSA77.23 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 ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonylthiophene-2-carboxamide?
The IUPAC name of 5-ethylsulfonylthiophene-2-carboxamide (CID 175262367) is 5-ethylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for 5-ethylsulfonylthiophene-2-carboxamide?
The canonical SMILES for 5-ethylsulfonylthiophene-2-carboxamide is CCS(=O)(=O)c1ccc(C(N)=O)s1.
What is the InChIKey of 5-ethylsulfonylthiophene-2-carboxamide?
The InChIKey is QVPZSVIVTONSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S2/c1-2-13(10,11)6-4-3-5(12-6)7(8)9/h3-4H,2H2,1H3,(H2,8,9).
What are the key properties of 5-ethylsulfonylthiophene-2-carboxamide?
5-ethylsulfonylthiophene-2-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 175262367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).