3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid

C15H10N2O5S — CID 134346877

IUPAC3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid
SMILESO=Cc1cn(S(=O)(=O)c2cccnc2)c2cc(C(=O)O)ccc12
InChIInChI=1S/C15H10N2O5S/c18-9-11-8-17(23(21,22)12-2-1-5-16-7-12)14-6-10(15(19)20)3-4-13(11)14/h1-9H,(H,19,20)
InChIKeyGRCGMEYQTMBLJL-UHFFFAOYSA-N
MW330.32 g/mol
LogP1.78
Rot. Bonds4

About 3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid

3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid (PubChem CID 134346877) has the molecular formula C15H10N2O5S and a molecular weight of 330.32 g/mol. Its IUPAC name is 3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid.

Molecular Properties

Compound Name3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid
PubChem CID134346877
Molecular FormulaC15H10N2O5S
Molecular Weight330.32 g/mol
Exact Mass330.03
IUPAC Name3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid
SMILESO=Cc1cn(S(=O)(=O)c2cccnc2)c2cc(C(=O)O)ccc12
InChIInChI=1S/C15H10N2O5S/c18-9-11-8-17(23(21,22)12-2-1-5-16-7-12)14-6-10(15(19)20)3-4-13(11)14/h1-9H,(H,19,20)
InChIKeyGRCGMEYQTMBLJL-UHFFFAOYSA-N
XLogP1.78
TPSA106.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(6-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylindole-3-carboxylic acid
CID 134346754
1-(benzenesulfonyl)-5,6-dihydroxyindole-3-carbaldehyde
CID 88908779
2-bromo-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
CID 175088530
5-(2,4-difluorophenyl)-4-methoxy-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
CID 164883824
2-phenyl-1-pyridin-3-ylsulfonylimidazole-4-carbaldehyde
CID 23660685
6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole
CID 174792264
3-(5-pyridin-3-ylsulfonyl-[1,3]dioxolo[4,5-f]indol-7-yl)propanoic acid
CID 58837923
1-(benzenesulfonyl)-6-(4-fluorophenyl)-3-pyridin-3-ylindole
CID 67843534
1-(benzenesulfonyl)-5-fluoroindole-3-carbaldehyde
CID 151908022
2-[6-(bromomethyl)-1-pyridin-3-ylsulfonylindol-3-yl]ethyl carbamate
CID 175317176
methyl N-[[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl]carbamate
CID 174792232
3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine;hydrochloride
CID 142724812

Frequently Asked Questions

What is the IUPAC name of 3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid?
The IUPAC name of 3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid (CID 134346877) is 3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid.
What is the SMILES notation for 3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid?
The canonical SMILES for 3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid is O=Cc1cn(S(=O)(=O)c2cccnc2)c2cc(C(=O)O)ccc12.
What is the InChIKey of 3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid?
The InChIKey is GRCGMEYQTMBLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O5S/c18-9-11-8-17(23(21,22)12-2-1-5-16-7-12)14-6-10(15(19)20)3-4-13(11)14/h1-9H,(H,19,20).
What are the key properties of 3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid?
3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid has a molecular weight of 330.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid is sourced from PubChem (CID 134346877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).