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

C13H8Cl2N2O2S — CID 1491483

IUPAC1-(2,4-dichlorophenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)n1ccc2cccnc21
InChIInChI=1S/C13H8Cl2N2O2S/c14-10-3-4-12(11(15)8-10)20(18,19)17-7-5-9-2-1-6-16-13(9)17/h1-8H
InChIKeyNRUAXCBWOVICTL-UHFFFAOYSA-N
MW327.19 g/mol
LogP3.58
Rot. Bonds2

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

1-(2,4-dichlorophenyl)sulfonylpyrrolo[2,3-b]pyridine (PubChem CID 1491483) has the molecular formula C13H8Cl2N2O2S and a molecular weight of 327.19 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)sulfonylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)sulfonylpyrrolo[2,3-b]pyridine
PubChem CID1491483
Molecular FormulaC13H8Cl2N2O2S
Molecular Weight327.19 g/mol
Exact Mass325.97
IUPAC Name1-(2,4-dichlorophenyl)sulfonylpyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1Cl)n1ccc2cccnc21
InChIInChI=1S/C13H8Cl2N2O2S/c14-10-3-4-12(11(15)8-10)20(18,19)17-7-5-9-2-1-6-16-13(9)17/h1-8H
InChIKeyNRUAXCBWOVICTL-UHFFFAOYSA-N
XLogP3.58
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)sulfonylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(2,4-dichlorophenyl)sulfonylpyrrolo[2,3-b]pyridine (CID 1491483) is 1-(2,4-dichlorophenyl)sulfonylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)sulfonylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(2,4-dichlorophenyl)sulfonylpyrrolo[2,3-b]pyridine is O=S(=O)(c1ccc(Cl)cc1Cl)n1ccc2cccnc21.
What is the InChIKey of 1-(2,4-dichlorophenyl)sulfonylpyrrolo[2,3-b]pyridine?
The InChIKey is NRUAXCBWOVICTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2S/c14-10-3-4-12(11(15)8-10)20(18,19)17-7-5-9-2-1-6-16-13(9)17/h1-8H.
What are the key properties of 1-(2,4-dichlorophenyl)sulfonylpyrrolo[2,3-b]pyridine?
1-(2,4-dichlorophenyl)sulfonylpyrrolo[2,3-b]pyridine has a molecular weight of 327.19 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)sulfonylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 1491483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).