1-(benzenesulfonyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine

C20H23N3O2S — CID 91160769

IUPAC1-(benzenesulfonyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine
SMILESCCN1CCCC1Cc1cn(S(=O)(=O)c2ccccc2)c2cccnc12
InChIInChI=1S/C20H23N3O2S/c1-2-22-13-7-8-17(22)14-16-15-23(19-11-6-12-21-20(16)19)26(24,25)18-9-4-3-5-10-18/h3-6,9-12,15,17H,2,7-8,13-14H2,1H3
InChIKeyKXLJVKAJDKCGTM-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.30
Rot. Bonds5

About 1-(benzenesulfonyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine

1-(benzenesulfonyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine (PubChem CID 91160769) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine
PubChem CID91160769
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name1-(benzenesulfonyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine
SMILESCCN1CCCC1Cc1cn(S(=O)(=O)c2ccccc2)c2cccnc12
InChIInChI=1S/C20H23N3O2S/c1-2-22-13-7-8-17(22)14-16-15-23(19-11-6-12-21-20(16)19)26(24,25)18-9-4-3-5-10-18/h3-6,9-12,15,17H,2,7-8,13-14H2,1H3
InChIKeyKXLJVKAJDKCGTM-UHFFFAOYSA-N
XLogP3.30
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine;formic acid
CID 157153001
1-(4-chlorophenyl)sulfonyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine
CID 44603430
1-(2-chlorophenyl)sulfonyl-3-[(1-methylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine
CID 75078966
benzenesulfonyl chloride;1-(benzenesulfonyl)-3-(cyclopentylmethyl)pyrrolo[3,2-b]pyridine;tert-butyl 2-(1H-pyrrolo[3,2-b]pyridin-3-ylmethyl)pyrrolidine-1-carboxylate
CID 158193543
5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 44602663
5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-chromen-3-one
CID 59161668
1-(benzenesulfonyl)-3-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-b]pyridine
CID 44624098
2-[1-[4-(3-methoxypyrrolidin-1-yl)phenyl]sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylethanamine
CID 44624500
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79313037
[(2R)-1-[[1-(benzenesulfonyl)indol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 24775577
[(2S)-1-[[3-[1-(benzenesulfonyl)indol-3-yl]phenyl]methyl]pyrrolidin-2-yl]methanol
CID 53360100
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine (CID 91160769) is 1-(benzenesulfonyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine is CCN1CCCC1Cc1cn(S(=O)(=O)c2ccccc2)c2cccnc12.
What is the InChIKey of 1-(benzenesulfonyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine?
The InChIKey is KXLJVKAJDKCGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-2-22-13-7-8-17(22)14-16-15-23(19-11-6-12-21-20(16)19)26(24,25)18-9-4-3-5-10-18/h3-6,9-12,15,17H,2,7-8,13-14H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine?
1-(benzenesulfonyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine has a molecular weight of 369.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 91160769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).