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

C15H11BrN2O3S — CID 175864006

IUPAC5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde
SMILESCc1ccc(S(=O)(=O)n2c(C=O)cc3cc(Br)cnc32)cc1
InChIInChI=1S/C15H11BrN2O3S/c1-10-2-4-14(5-3-10)22(20,21)18-13(9-19)7-11-6-12(16)8-17-15(11)18/h2-9H,1H3
InChIKeyPIFBGRJLOBNXPK-UHFFFAOYSA-N
MW379.24 g/mol
LogP3.16
Rot. Bonds3

About 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde

5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde (PubChem CID 175864006) has the molecular formula C15H11BrN2O3S and a molecular weight of 379.24 g/mol. Its IUPAC name is 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde
PubChem CID175864006
Molecular FormulaC15H11BrN2O3S
Molecular Weight379.24 g/mol
Exact Mass377.97
IUPAC Name5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde
SMILESCc1ccc(S(=O)(=O)n2c(C=O)cc3cc(Br)cnc32)cc1
InChIInChI=1S/C15H11BrN2O3S/c1-10-2-4-14(5-3-10)22(20,21)18-13(9-19)7-11-6-12(16)8-17-15(11)18/h2-9H,1H3
InChIKeyPIFBGRJLOBNXPK-UHFFFAOYSA-N
XLogP3.16
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.16
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

5-bromo-1-(4-methylphenyl)sulfonyl-2-(2-methylpyrimidin-5-yl)pyrrolo[2,3-b]pyridine
CID 177130136
5-bromo-2-(5-methoxy-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 177130215
2-bromo-6-methyl-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
CID 58557085
3-(4-methylphenyl)sulfonylimidazole-4-carbaldehyde
CID 125483195
1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 73014138
5-bromo-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine
CID 141325151
6-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;hydrochloride
CID 175965023
5-bromo-1-(4-methylphenyl)sulfonylindazole
CID 58137189
5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 156524125
5-bromo-1-(4-methylphenyl)sulfonyl-2H-pyrrolo[2,3-b]pyridin-3-one
CID 67078299
5-bromo-2-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonylindole
CID 135298225
1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[2,3-b]pyridine
CID 121228705

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde?
The IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde (CID 175864006) is 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde?
The canonical SMILES for 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde is Cc1ccc(S(=O)(=O)n2c(C=O)cc3cc(Br)cnc32)cc1.
What is the InChIKey of 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde?
The InChIKey is PIFBGRJLOBNXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3S/c1-10-2-4-14(5-3-10)22(20,21)18-13(9-19)7-11-6-12(16)8-17-15(11)18/h2-9H,1H3.
What are the key properties of 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde?
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde has a molecular weight of 379.24 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 175864006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).