1-(benzenesulfonyl)-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde

C20H14N2O4S — CID 86294867

IUPAC1-(benzenesulfonyl)-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde
SMILESO=Cc1c(-c2ccc(O)cc2)c2ccncc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H14N2O4S/c23-13-19-20(14-6-8-15(24)9-7-14)17-10-11-21-12-18(17)22(19)27(25,26)16-4-2-1-3-5-16/h1-13,24H
InChIKeyWPUQUUQFLYICLB-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.46
Rot. Bonds4

About 1-(benzenesulfonyl)-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde

1-(benzenesulfonyl)-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde (PubChem CID 86294867) has the molecular formula C20H14N2O4S and a molecular weight of 378.41 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde
PubChem CID86294867
Molecular FormulaC20H14N2O4S
Molecular Weight378.41 g/mol
Exact Mass378.07
IUPAC Name1-(benzenesulfonyl)-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde
SMILESO=Cc1c(-c2ccc(O)cc2)c2ccncc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H14N2O4S/c23-13-19-20(14-6-8-15(24)9-7-14)17-10-11-21-12-18(17)22(19)27(25,26)16-4-2-1-3-5-16/h1-13,24H
InChIKeyWPUQUUQFLYICLB-UHFFFAOYSA-N
XLogP3.46
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde?
The IUPAC name of 1-(benzenesulfonyl)-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde (CID 86294867) is 1-(benzenesulfonyl)-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde?
The canonical SMILES for 1-(benzenesulfonyl)-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde is O=Cc1c(-c2ccc(O)cc2)c2ccncc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde?
The InChIKey is WPUQUUQFLYICLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4S/c23-13-19-20(14-6-8-15(24)9-7-14)17-10-11-21-12-18(17)22(19)27(25,26)16-4-2-1-3-5-16/h1-13,24H.
What are the key properties of 1-(benzenesulfonyl)-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde?
1-(benzenesulfonyl)-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde has a molecular weight of 378.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(4-hydroxyphenyl)pyrrolo[2,3-c]pyridine-2-carbaldehyde is sourced from PubChem (CID 86294867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).