1-(2,5-dichlorothiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid

C14H9Cl2NO3S — CID 107959682

IUPAC1-(2,5-dichlorothiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cc(Cl)sc2Cl)c2ccccc21
InChIInChI=1S/C14H9Cl2NO3S/c15-11-5-8(12(16)21-11)13(18)17-6-9(14(19)20)7-3-1-2-4-10(7)17/h1-5,9H,6H2,(H,19,20)
InChIKeyCWUXCVVKPCJIMH-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.88
Rot. Bonds2

About 1-(2,5-dichlorothiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid

1-(2,5-dichlorothiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 107959682) has the molecular formula C14H9Cl2NO3S and a molecular weight of 342.20 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dichlorothiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID107959682
Molecular FormulaC14H9Cl2NO3S
Molecular Weight342.20 g/mol
Exact Mass340.97
IUPAC Name1-(2,5-dichlorothiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cc(Cl)sc2Cl)c2ccccc21
InChIInChI=1S/C14H9Cl2NO3S/c15-11-5-8(12(16)21-11)13(18)17-6-9(14(19)20)7-3-1-2-4-10(7)17/h1-5,9H,6H2,(H,19,20)
InChIKeyCWUXCVVKPCJIMH-UHFFFAOYSA-N
XLogP3.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(2,5-dichlorothiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 107959682) is 1-(2,5-dichlorothiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(2,5-dichlorothiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(2,5-dichlorothiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid is O=C(O)C1CN(C(=O)c2cc(Cl)sc2Cl)c2ccccc21.
What is the InChIKey of 1-(2,5-dichlorothiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is CWUXCVVKPCJIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO3S/c15-11-5-8(12(16)21-11)13(18)17-6-9(14(19)20)7-3-1-2-4-10(7)17/h1-5,9H,6H2,(H,19,20).
What are the key properties of 1-(2,5-dichlorothiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(2,5-dichlorothiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 342.20 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 107959682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).