1-(benzenesulfonyl)-2-ethyl-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine

C21H17FN2O2S — CID 68951720

IUPAC1-(benzenesulfonyl)-2-ethyl-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine
SMILESCCc1cc2cc(-c3cccc(F)c3)cnc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17FN2O2S/c1-2-19-13-16-11-17(15-7-6-8-18(22)12-15)14-23-21(16)24(19)27(25,26)20-9-4-3-5-10-20/h3-14H,2H2,1H3
InChIKeyBVMIVRBJRIUOLJ-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.64
Rot. Bonds4

About 1-(benzenesulfonyl)-2-ethyl-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-2-ethyl-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine (PubChem CID 68951720) has the molecular formula C21H17FN2O2S and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-ethyl-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-ethyl-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine
PubChem CID68951720
Molecular FormulaC21H17FN2O2S
Molecular Weight380.44 g/mol
Exact Mass380.10
IUPAC Name1-(benzenesulfonyl)-2-ethyl-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine
SMILESCCc1cc2cc(-c3cccc(F)c3)cnc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17FN2O2S/c1-2-19-13-16-11-17(15-7-6-8-18(22)12-15)14-23-21(16)24(19)27(25,26)20-9-4-3-5-10-20/h3-14H,2H2,1H3
InChIKeyBVMIVRBJRIUOLJ-UHFFFAOYSA-N
XLogP4.64
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-ethyl-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-2-ethyl-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine (CID 68951720) is 1-(benzenesulfonyl)-2-ethyl-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-ethyl-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-2-ethyl-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine is CCc1cc2cc(-c3cccc(F)c3)cnc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-ethyl-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine?
The InChIKey is BVMIVRBJRIUOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2S/c1-2-19-13-16-11-17(15-7-6-8-18(22)12-15)14-23-21(16)24(19)27(25,26)20-9-4-3-5-10-20/h3-14H,2H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-ethyl-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-2-ethyl-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine has a molecular weight of 380.44 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-ethyl-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 68951720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).