2,6-difluoro-4-(4-pyridin-2-ylpyrrolo[2,3-c]pyridin-1-yl)sulfonylaniline

C18H12F2N4O2S — CID 171108710

IUPAC2,6-difluoro-4-(4-pyridin-2-ylpyrrolo[2,3-c]pyridin-1-yl)sulfonylaniline
SMILESNc1c(F)cc(S(=O)(=O)n2ccc3c(-c4ccccn4)cncc32)cc1F
InChIInChI=1S/C18H12F2N4O2S/c19-14-7-11(8-15(20)18(14)21)27(25,26)24-6-4-12-13(9-22-10-17(12)24)16-3-1-2-5-23-16/h1-10H,21H2
InChIKeyZIFXETPXRUYOIG-UHFFFAOYSA-N
MW386.38 g/mol
LogP3.20
Rot. Bonds3

About 2,6-difluoro-4-(4-pyridin-2-ylpyrrolo[2,3-c]pyridin-1-yl)sulfonylaniline

2,6-difluoro-4-(4-pyridin-2-ylpyrrolo[2,3-c]pyridin-1-yl)sulfonylaniline (PubChem CID 171108710) has the molecular formula C18H12F2N4O2S and a molecular weight of 386.38 g/mol. Its IUPAC name is 2,6-difluoro-4-(4-pyridin-2-ylpyrrolo[2,3-c]pyridin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2,6-difluoro-4-(4-pyridin-2-ylpyrrolo[2,3-c]pyridin-1-yl)sulfonylaniline
PubChem CID171108710
Molecular FormulaC18H12F2N4O2S
Molecular Weight386.38 g/mol
Exact Mass386.06
IUPAC Name2,6-difluoro-4-(4-pyridin-2-ylpyrrolo[2,3-c]pyridin-1-yl)sulfonylaniline
SMILESNc1c(F)cc(S(=O)(=O)n2ccc3c(-c4ccccn4)cncc32)cc1F
InChIInChI=1S/C18H12F2N4O2S/c19-14-7-11(8-15(20)18(14)21)27(25,26)24-6-4-12-13(9-22-10-17(12)24)16-3-1-2-5-23-16/h1-10H,21H2
InChIKeyZIFXETPXRUYOIG-UHFFFAOYSA-N
XLogP3.20
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-difluorophenyl)sulfonyl-4-propan-2-ylpyrrolo[2,3-c]pyridine
CID 171562347
4-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 175995945
1-(4-methylphenyl)sulfonyl-3-pyridin-2-ylindole
CID 11244980
4-pyridin-2-ylindol-1-amine
CID 152780925
2-fluoro-3-[3-fluoro-1-[(5-methyl-3-pyridinyl)sulfonyl]pyrrol-2-yl]pyridine
CID 141360445
1-phenyl-3-pyridin-2-ylpyrrolo[2,3-c]pyridine
CID 144659291
2-fluoro-5-indol-1-ylsulfonylaniline
CID 71494011
1-(benzenesulfonyl)-6-(trifluoromethyl)pyrrolo[3,2-c]pyridine
CID 150655261
1-(benzenesulfonyl)-6-fluoroindole-4-carbaldehyde
CID 86618242
2-(2,5-difluoro-4-methylphenyl)pyridine
CID 170974832
2-(4,5-difluoro-2-methylphenyl)pyridine;ethane
CID 145481986
1-(benzenesulfonyl)-5-fluoro-4-iodoindole
CID 118537676

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(4-pyridin-2-ylpyrrolo[2,3-c]pyridin-1-yl)sulfonylaniline?
The IUPAC name of 2,6-difluoro-4-(4-pyridin-2-ylpyrrolo[2,3-c]pyridin-1-yl)sulfonylaniline (CID 171108710) is 2,6-difluoro-4-(4-pyridin-2-ylpyrrolo[2,3-c]pyridin-1-yl)sulfonylaniline.
What is the SMILES notation for 2,6-difluoro-4-(4-pyridin-2-ylpyrrolo[2,3-c]pyridin-1-yl)sulfonylaniline?
The canonical SMILES for 2,6-difluoro-4-(4-pyridin-2-ylpyrrolo[2,3-c]pyridin-1-yl)sulfonylaniline is Nc1c(F)cc(S(=O)(=O)n2ccc3c(-c4ccccn4)cncc32)cc1F.
What is the InChIKey of 2,6-difluoro-4-(4-pyridin-2-ylpyrrolo[2,3-c]pyridin-1-yl)sulfonylaniline?
The InChIKey is ZIFXETPXRUYOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O2S/c19-14-7-11(8-15(20)18(14)21)27(25,26)24-6-4-12-13(9-22-10-17(12)24)16-3-1-2-5-23-16/h1-10H,21H2.
What are the key properties of 2,6-difluoro-4-(4-pyridin-2-ylpyrrolo[2,3-c]pyridin-1-yl)sulfonylaniline?
2,6-difluoro-4-(4-pyridin-2-ylpyrrolo[2,3-c]pyridin-1-yl)sulfonylaniline has a molecular weight of 386.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(4-pyridin-2-ylpyrrolo[2,3-c]pyridin-1-yl)sulfonylaniline is sourced from PubChem (CID 171108710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).