3-(2-chlorophenyl)sulfonyl-6-fluoro-1-(piperidin-2-ylmethyl)pyrrolo[3,2-b]pyridine

C19H19ClFN3O2S — CID 10001464

IUPAC3-(2-chlorophenyl)sulfonyl-6-fluoro-1-(piperidin-2-ylmethyl)pyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1ccccc1Cl)c1cn(CC2CCCCN2)c2cc(F)cnc12
InChIInChI=1S/C19H19ClFN3O2S/c20-15-6-1-2-7-17(15)27(25,26)18-12-24(11-14-5-3-4-8-22-14)16-9-13(21)10-23-19(16)18/h1-2,6-7,9-10,12,14,22H,3-5,8,11H2
InChIKeyJDRGVAJNJTYATJ-UHFFFAOYSA-N
MW407.90 g/mol
LogP3.80
Rot. Bonds4

About 3-(2-chlorophenyl)sulfonyl-6-fluoro-1-(piperidin-2-ylmethyl)pyrrolo[3,2-b]pyridine

3-(2-chlorophenyl)sulfonyl-6-fluoro-1-(piperidin-2-ylmethyl)pyrrolo[3,2-b]pyridine (PubChem CID 10001464) has the molecular formula C19H19ClFN3O2S and a molecular weight of 407.90 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfonyl-6-fluoro-1-(piperidin-2-ylmethyl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfonyl-6-fluoro-1-(piperidin-2-ylmethyl)pyrrolo[3,2-b]pyridine
PubChem CID10001464
Molecular FormulaC19H19ClFN3O2S
Molecular Weight407.90 g/mol
Exact Mass407.09
IUPAC Name3-(2-chlorophenyl)sulfonyl-6-fluoro-1-(piperidin-2-ylmethyl)pyrrolo[3,2-b]pyridine
SMILESO=S(=O)(c1ccccc1Cl)c1cn(CC2CCCCN2)c2cc(F)cnc12
InChIInChI=1S/C19H19ClFN3O2S/c20-15-6-1-2-7-17(15)27(25,26)18-12-24(11-14-5-3-4-8-22-14)16-9-13(21)10-23-19(16)18/h1-2,6-7,9-10,12,14,22H,3-5,8,11H2
InChIKeyJDRGVAJNJTYATJ-UHFFFAOYSA-N
XLogP3.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfonyl-6-fluoro-1-(piperidin-2-ylmethyl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-(2-chlorophenyl)sulfonyl-6-fluoro-1-(piperidin-2-ylmethyl)pyrrolo[3,2-b]pyridine (CID 10001464) is 3-(2-chlorophenyl)sulfonyl-6-fluoro-1-(piperidin-2-ylmethyl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-(2-chlorophenyl)sulfonyl-6-fluoro-1-(piperidin-2-ylmethyl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-(2-chlorophenyl)sulfonyl-6-fluoro-1-(piperidin-2-ylmethyl)pyrrolo[3,2-b]pyridine is O=S(=O)(c1ccccc1Cl)c1cn(CC2CCCCN2)c2cc(F)cnc12.
What is the InChIKey of 3-(2-chlorophenyl)sulfonyl-6-fluoro-1-(piperidin-2-ylmethyl)pyrrolo[3,2-b]pyridine?
The InChIKey is JDRGVAJNJTYATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O2S/c20-15-6-1-2-7-17(15)27(25,26)18-12-24(11-14-5-3-4-8-22-14)16-9-13(21)10-23-19(16)18/h1-2,6-7,9-10,12,14,22H,3-5,8,11H2.
What are the key properties of 3-(2-chlorophenyl)sulfonyl-6-fluoro-1-(piperidin-2-ylmethyl)pyrrolo[3,2-b]pyridine?
3-(2-chlorophenyl)sulfonyl-6-fluoro-1-(piperidin-2-ylmethyl)pyrrolo[3,2-b]pyridine has a molecular weight of 407.90 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfonyl-6-fluoro-1-(piperidin-2-ylmethyl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 10001464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).