1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde

C15H12N2O3S — CID 22477256

IUPAC1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde
SMILESCc1ccc(S(=O)(=O)n2c(C=O)cc3cccnc32)cc1
InChIInChI=1S/C15H12N2O3S/c1-11-4-6-14(7-5-11)21(19,20)17-13(10-18)9-12-3-2-8-16-15(12)17/h2-10H,1H3
InChIKeyIBQWPMMKADOYIX-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.39
Rot. Bonds3

About 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde

1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde (PubChem CID 22477256) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde
PubChem CID22477256
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde
SMILESCc1ccc(S(=O)(=O)n2c(C=O)cc3cccnc32)cc1
InChIInChI=1S/C15H12N2O3S/c1-11-4-6-14(7-5-11)21(19,20)17-13(10-18)9-12-3-2-8-16-15(12)17/h2-10H,1H3
InChIKeyIBQWPMMKADOYIX-UHFFFAOYSA-N
XLogP2.39
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.39
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-(Toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 1479966
4-acetyl-N-(2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl)benzenesulfonamide
CID 7150784
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
(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
2-Ethenyl-1-(phenylsulfonyl)-1H-pyrrolo(2,3-b)pyridine
CID 23243183
1-Benzenesulfonyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 24103658

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde?
The IUPAC name of 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde (CID 22477256) is 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde?
The canonical SMILES for 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde is Cc1ccc(S(=O)(=O)n2c(C=O)cc3cccnc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde?
The InChIKey is IBQWPMMKADOYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-11-4-6-14(7-5-11)21(19,20)17-13(10-18)9-12-3-2-8-16-15(12)17/h2-10H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde?
1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde has a molecular weight of 300.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 22477256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).