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

C19H20ClN3O2S — CID 75078966

IUPAC1-(2-chlorophenyl)sulfonyl-3-[(1-methylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine
SMILESCN1CCCC1Cc1cn(S(=O)(=O)c2ccccc2Cl)c2cccnc12
InChIInChI=1S/C19H20ClN3O2S/c1-22-11-5-6-15(22)12-14-13-23(17-8-4-10-21-19(14)17)26(24,25)18-9-3-2-7-16(18)20/h2-4,7-10,13,15H,5-6,11-12H2,1H3
InChIKeyBRQFNGBAWFGGPK-UHFFFAOYSA-N
MW389.91 g/mol
LogP3.56
Rot. Bonds4

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

1-(2-chlorophenyl)sulfonyl-3-[(1-methylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine (PubChem CID 75078966) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-3-[(1-methylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-3-[(1-methylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine
PubChem CID75078966
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name1-(2-chlorophenyl)sulfonyl-3-[(1-methylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine
SMILESCN1CCCC1Cc1cn(S(=O)(=O)c2ccccc2Cl)c2cccnc12
InChIInChI=1S/C19H20ClN3O2S/c1-22-11-5-6-15(22)12-14-13-23(17-8-4-10-21-19(14)17)26(24,25)18-9-3-2-7-16(18)20/h2-4,7-10,13,15H,5-6,11-12H2,1H3
InChIKeyBRQFNGBAWFGGPK-UHFFFAOYSA-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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Related Compounds

1-(4-chlorophenyl)sulfonyl-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine
CID 44603430
1-(benzenesulfonyl)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridine;formic acid
CID 157153001
5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-chromen-3-one
CID 59161668
5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolo[3,2-b]pyridin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CID 44602663
1-(benzenesulfonyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine
CID 91160769
2-[1-(2-chlorophenyl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]ethyl N-tert-butylcarbamate
CID 90748027
2-[1-(2-chlorophenyl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 46179326
2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine
CID 23452576
[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61408875
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
aniline;3-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrrolo[3,2-b]pyridine
CID 143921679
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58172476

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-[(1-methylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-3-[(1-methylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine (CID 75078966) is 1-(2-chlorophenyl)sulfonyl-3-[(1-methylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-3-[(1-methylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-3-[(1-methylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine is CN1CCCC1Cc1cn(S(=O)(=O)c2ccccc2Cl)c2cccnc12.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-3-[(1-methylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine?
The InChIKey is BRQFNGBAWFGGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-22-11-5-6-15(22)12-14-13-23(17-8-4-10-21-19(14)17)26(24,25)18-9-3-2-7-16(18)20/h2-4,7-10,13,15H,5-6,11-12H2,1H3.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-3-[(1-methylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine?
1-(2-chlorophenyl)sulfonyl-3-[(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-(2-chlorophenyl)sulfonyl-3-[(1-methylpyrrolidin-2-yl)methyl]pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 75078966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).