1-(3-chloro-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid

C15H12ClNO3S — CID 103399961

IUPAC1-(3-chloro-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCc1csc(C(=O)N2c3ccccc3CC2C(=O)O)c1Cl
InChIInChI=1S/C15H12ClNO3S/c1-8-7-21-13(12(8)16)14(18)17-10-5-3-2-4-9(10)6-11(17)15(19)20/h2-5,7,11H,6H2,1H3,(H,19,20)
InChIKeyYJFZCJDFQWLFFS-UHFFFAOYSA-N
MW321.79 g/mol
LogP3.37
Rot. Bonds2

About 1-(3-chloro-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid

1-(3-chloro-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 103399961) has the molecular formula C15H12ClNO3S and a molecular weight of 321.79 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID103399961
Molecular FormulaC15H12ClNO3S
Molecular Weight321.79 g/mol
Exact Mass321.02
IUPAC Name1-(3-chloro-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCc1csc(C(=O)N2c3ccccc3CC2C(=O)O)c1Cl
InChIInChI=1S/C15H12ClNO3S/c1-8-7-21-13(12(8)16)14(18)17-10-5-3-2-4-9(10)6-11(17)15(19)20/h2-5,7,11H,6H2,1H3,(H,19,20)
InChIKeyYJFZCJDFQWLFFS-UHFFFAOYSA-N
XLogP3.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43825951
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-(3-fluoro-4-methylbenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43825942
1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 43196856
1-(5-methylfuran-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 114818785
1-(1,3-thiazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 55145615
(2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61143649
(2S)-1-(6-chloropyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61144897
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349
1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43196844
(2S)-1-(2,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 66126249
1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 118856568

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(3-chloro-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid (CID 103399961) is 1-(3-chloro-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(3-chloro-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid is Cc1csc(C(=O)N2c3ccccc3CC2C(=O)O)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is YJFZCJDFQWLFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3S/c1-8-7-21-13(12(8)16)14(18)17-10-5-3-2-4-9(10)6-11(17)15(19)20/h2-5,7,11H,6H2,1H3,(H,19,20).
What are the key properties of 1-(3-chloro-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
1-(3-chloro-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 321.79 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 103399961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).