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

C14H12N2O3S — CID 166595155

IUPAC1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCOc1ccc(S(=O)(=O)n2ccc3cccnc32)cc1
InChIInChI=1S/C14H12N2O3S/c1-19-12-4-6-13(7-5-12)20(17,18)16-10-8-11-3-2-9-15-14(11)16/h2-10H,1H3
InChIKeyLWEARHMVFHZZCX-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.28
Rot. Bonds3

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

1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-b]pyridine (PubChem CID 166595155) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-b]pyridine
PubChem CID166595155
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESCOc1ccc(S(=O)(=O)n2ccc3cccnc32)cc1
InChIInChI=1S/C14H12N2O3S/c1-19-12-4-6-13(7-5-12)20(17,18)16-10-8-11-3-2-9-15-14(11)16/h2-10H,1H3
InChIKeyLWEARHMVFHZZCX-UHFFFAOYSA-N
XLogP2.28
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-b]pyridine (CID 166595155) is 1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-b]pyridine is COc1ccc(S(=O)(=O)n2ccc3cccnc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-b]pyridine?
The InChIKey is LWEARHMVFHZZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-19-12-4-6-13(7-5-12)20(17,18)16-10-8-11-3-2-9-15-14(11)16/h2-10H,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-b]pyridine?
1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-b]pyridine has a molecular weight of 288.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 166595155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).