6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)pyrrolo[3,2-c]pyridine

C19H19ClFN3O2S — CID 22065935

IUPAC6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)pyrrolo[3,2-c]pyridine
SMILESO=S(=O)(c1ccc(F)cc1)c1cn(CC2CCCCN2)c2cc(Cl)ncc12
InChIInChI=1S/C19H19ClFN3O2S/c20-19-9-17-16(10-23-19)18(12-24(17)11-14-3-1-2-8-22-14)27(25,26)15-6-4-13(21)5-7-15/h4-7,9-10,12,14,22H,1-3,8,11H2
InChIKeyODCYKFRQEQAALP-UHFFFAOYSA-N
MW407.90 g/mol
LogP3.80
Rot. Bonds4

About 6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)pyrrolo[3,2-c]pyridine

6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)pyrrolo[3,2-c]pyridine (PubChem CID 22065935) has the molecular formula C19H19ClFN3O2S and a molecular weight of 407.90 g/mol. Its IUPAC name is 6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)pyrrolo[3,2-c]pyridine
PubChem CID22065935
Molecular FormulaC19H19ClFN3O2S
Molecular Weight407.90 g/mol
Exact Mass407.09
IUPAC Name6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)pyrrolo[3,2-c]pyridine
SMILESO=S(=O)(c1ccc(F)cc1)c1cn(CC2CCCCN2)c2cc(Cl)ncc12
InChIInChI=1S/C19H19ClFN3O2S/c20-19-9-17-16(10-23-19)18(12-24(17)11-14-3-1-2-8-22-14)27(25,26)15-6-4-13(21)5-7-15/h4-7,9-10,12,14,22H,1-3,8,11H2
InChIKeyODCYKFRQEQAALP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-(3-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)indole
CID 10454045
3-(2-chlorophenyl)sulfonyl-6-fluoro-1-(piperidin-2-ylmethyl)pyrrolo[3,2-b]pyridine
CID 10001464
3-(benzenesulfonyl)-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-b]pyridine;hydrochloride
CID 69202980
5-fluoro-1-(piperidin-2-ylmethyl)indazole
CID 84796127
6-fluoro-1-(pyrrolidin-2-ylmethyl)indazole
CID 86203454
2-[3-(4-fluorophenyl)sulfonylpropyl]pyrrolidine
CID 112741662
5-fluoro-3-[5-fluoro-7-(piperidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-N-methylpyrrolo[2,3-b]pyridine-1-carboxamide
CID 142463221
5-fluoro-1-(2-piperidin-2-ylethyl)pyridin-2-one
CID 82147333
2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43344425
8-chloro-3-(pyrrolidin-2-ylmethyl)quinazolin-4-one
CID 75690477
4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine
CID 86321830
[6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 56839963

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)pyrrolo[3,2-c]pyridine?
The IUPAC name of 6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)pyrrolo[3,2-c]pyridine (CID 22065935) is 6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)pyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)pyrrolo[3,2-c]pyridine is O=S(=O)(c1ccc(F)cc1)c1cn(CC2CCCCN2)c2cc(Cl)ncc12.
What is the InChIKey of 6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)pyrrolo[3,2-c]pyridine?
The InChIKey is ODCYKFRQEQAALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O2S/c20-19-9-17-16(10-23-19)18(12-24(17)11-14-3-1-2-8-22-14)27(25,26)15-6-4-13(21)5-7-15/h4-7,9-10,12,14,22H,1-3,8,11H2.
What are the key properties of 6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)pyrrolo[3,2-c]pyridine?
6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)pyrrolo[3,2-c]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 6-chloro-3-(4-fluorophenyl)sulfonyl-1-(piperidin-2-ylmethyl)pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 22065935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).