1-(4-chlorophenyl)sulfonyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine

C19H20ClN3O2S — CID 44603430

IUPAC1-(4-chlorophenyl)sulfonyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine
SMILESCN1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccc(Cl)cc2)c2cccnc12
InChIInChI=1S/C19H20ClN3O2S/c1-22-11-3-4-16(22)12-14-13-23(18-5-2-10-21-19(14)18)26(24,25)17-8-6-15(20)7-9-17/h2,5-10,13,16H,3-4,11-12H2,1H3/t16-/m0/s1
InChIKeyQZODJIBEMCQMBH-INIZCTEOSA-N
MW389.91 g/mol
LogP3.56
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine

1-(4-chlorophenyl)sulfonyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine (PubChem CID 44603430) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine
PubChem CID44603430
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine
SMILESCN1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccc(Cl)cc2)c2cccnc12
InChIInChI=1S/C19H20ClN3O2S/c1-22-11-3-4-16(22)12-14-13-23(18-5-2-10-21-19(14)18)26(24,25)17-8-6-15(20)7-9-17/h2,5-10,13,16H,3-4,11-12H2,1H3/t16-/m0/s1
InChIKeyQZODJIBEMCQMBH-INIZCTEOSA-N
XLogP3.56
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine (CID 44603430) is 1-(4-chlorophenyl)sulfonyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine is CN1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccc(Cl)cc2)c2cccnc12.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine?
The InChIKey is QZODJIBEMCQMBH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-22-11-3-4-16(22)12-14-13-23(18-5-2-10-21-19(14)18)26(24,25)17-8-6-15(20)7-9-17/h2,5-10,13,16H,3-4,11-12H2,1H3/t16-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine?
1-(4-chlorophenyl)sulfonyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine has a molecular weight of 389.91 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 44603430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).