3,4,5-trichlorothiophene-2-carboxamide

C5H2Cl3NOS — CID 12858640

IUPAC3,4,5-trichlorothiophene-2-carboxamide
SMILESNC(=O)c1sc(Cl)c(Cl)c1Cl
InChIInChI=1S/C5H2Cl3NOS/c6-1-2(7)4(8)11-3(1)5(9)10/h(H2,9,10)
InChIKeyOFTAKNFOWLOFOS-UHFFFAOYSA-N
MW230.50 g/mol
LogP2.81
Rot. Bonds1

About 3,4,5-trichlorothiophene-2-carboxamide

3,4,5-trichlorothiophene-2-carboxamide (PubChem CID 12858640) has the molecular formula C5H2Cl3NOS and a molecular weight of 230.50 g/mol. Its IUPAC name is 3,4,5-trichlorothiophene-2-carboxamide.

Molecular Properties

Compound Name3,4,5-trichlorothiophene-2-carboxamide
PubChem CID12858640
Molecular FormulaC5H2Cl3NOS
Molecular Weight230.50 g/mol
Exact Mass228.89
IUPAC Name3,4,5-trichlorothiophene-2-carboxamide
SMILESNC(=O)c1sc(Cl)c(Cl)c1Cl
InChIInChI=1S/C5H2Cl3NOS/c6-1-2(7)4(8)11-3(1)5(9)10/h(H2,9,10)
InChIKeyOFTAKNFOWLOFOS-UHFFFAOYSA-N
XLogP2.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trichlorothiophene-2-carboxamide?
The IUPAC name of 3,4,5-trichlorothiophene-2-carboxamide (CID 12858640) is 3,4,5-trichlorothiophene-2-carboxamide.
What is the SMILES notation for 3,4,5-trichlorothiophene-2-carboxamide?
The canonical SMILES for 3,4,5-trichlorothiophene-2-carboxamide is NC(=O)c1sc(Cl)c(Cl)c1Cl.
What is the InChIKey of 3,4,5-trichlorothiophene-2-carboxamide?
The InChIKey is OFTAKNFOWLOFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl3NOS/c6-1-2(7)4(8)11-3(1)5(9)10/h(H2,9,10).
What are the key properties of 3,4,5-trichlorothiophene-2-carboxamide?
3,4,5-trichlorothiophene-2-carboxamide has a molecular weight of 230.50 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichlorothiophene-2-carboxamide is sourced from PubChem (CID 12858640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).