1-(1H-pyrazol-4-ylsulfonyl)-2,3-dihydroindole-5-carboxylic acid

C12H11N3O4S — CID 60916629

IUPAC1-(1H-pyrazol-4-ylsulfonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H11N3O4S/c16-12(17)9-1-2-11-8(5-9)3-4-15(11)20(18,19)10-6-13-14-7-10/h1-2,5-7H,3-4H2,(H,13,14)(H,16,17)
InChIKeyJUZGQWNYPANWDX-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.86
Rot. Bonds3

About 1-(1H-pyrazol-4-ylsulfonyl)-2,3-dihydroindole-5-carboxylic acid

1-(1H-pyrazol-4-ylsulfonyl)-2,3-dihydroindole-5-carboxylic acid (PubChem CID 60916629) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-ylsulfonyl)-2,3-dihydroindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrazol-4-ylsulfonyl)-2,3-dihydroindole-5-carboxylic acid
PubChem CID60916629
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name1-(1H-pyrazol-4-ylsulfonyl)-2,3-dihydroindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCN2S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C12H11N3O4S/c16-12(17)9-1-2-11-8(5-9)3-4-15(11)20(18,19)10-6-13-14-7-10/h1-2,5-7H,3-4H2,(H,13,14)(H,16,17)
InChIKeyJUZGQWNYPANWDX-UHFFFAOYSA-N
XLogP0.86
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-ylsulfonyl)-2,3-dihydroindole-5-carboxylic acid?
The IUPAC name of 1-(1H-pyrazol-4-ylsulfonyl)-2,3-dihydroindole-5-carboxylic acid (CID 60916629) is 1-(1H-pyrazol-4-ylsulfonyl)-2,3-dihydroindole-5-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrazol-4-ylsulfonyl)-2,3-dihydroindole-5-carboxylic acid?
The canonical SMILES for 1-(1H-pyrazol-4-ylsulfonyl)-2,3-dihydroindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CCN2S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 1-(1H-pyrazol-4-ylsulfonyl)-2,3-dihydroindole-5-carboxylic acid?
The InChIKey is JUZGQWNYPANWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c16-12(17)9-1-2-11-8(5-9)3-4-15(11)20(18,19)10-6-13-14-7-10/h1-2,5-7H,3-4H2,(H,13,14)(H,16,17).
What are the key properties of 1-(1H-pyrazol-4-ylsulfonyl)-2,3-dihydroindole-5-carboxylic acid?
1-(1H-pyrazol-4-ylsulfonyl)-2,3-dihydroindole-5-carboxylic acid has a molecular weight of 293.30 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-ylsulfonyl)-2,3-dihydroindole-5-carboxylic acid is sourced from PubChem (CID 60916629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).