1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde

C14H10N2O3S — CID 56692199

IUPAC1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde
SMILESO=Cc1cc2cccnc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H10N2O3S/c17-10-12-9-11-5-4-8-15-14(11)16(12)20(18,19)13-6-2-1-3-7-13/h1-10H
InChIKeyGKAPUAJWUZIFEM-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.09
Rot. Bonds3

About 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde

1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde (PubChem CID 56692199) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde
PubChem CID56692199
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Name1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde
SMILESO=Cc1cc2cccnc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H10N2O3S/c17-10-12-9-11-5-4-8-15-14(11)16(12)20(18,19)13-6-2-1-3-7-13/h1-10H
InChIKeyGKAPUAJWUZIFEM-UHFFFAOYSA-N
XLogP2.09
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(benzenesulfonyl)-N-phenylpyrrolo[2,3-b]pyridine-2-carboxamide
CID 51003501
4-(Benzenesulfonyl)-2,4,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene-3,5-dione
CID 53317841
1H-Pyrrolo(2,3-b)pyridine-2-carbaldehyde
CID 21873680
1H-Pyrrolo[2,3-b]pyridine-6-carbaldehyde
CID 24728893
N-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 53321771
N-(3-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 53325328
(4-methylsulfonylphenyl)-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
CID 127038928
Ethanone, 1-[1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-B]pyridin-3-YL]-
CID 21636676
[1-(4-Methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 156811312
2-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 1236372
1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 10356646
1-(Phenylsulfonyl)-1H-pyrrolo[3,2-C]pyridine-2-carbaldehyde
CID 11716169

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde?
The IUPAC name of 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde (CID 56692199) is 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde?
The canonical SMILES for 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde is O=Cc1cc2cccnc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde?
The InChIKey is GKAPUAJWUZIFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c17-10-12-9-11-5-4-8-15-14(11)16(12)20(18,19)13-6-2-1-3-7-13/h1-10H.
What are the key properties of 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde?
1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde has a molecular weight of 286.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 56692199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).