3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride

C18H21ClN4O3S — CID 120763492

IUPAC3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)c1c[nH]c2ncccc12.Cl
InChIInChI=1S/C18H20N4O3S.ClH/c1-25-16-7-3-2-5-13(16)15-11-19-9-10-22(15)26(23,24)17-12-21-18-14(17)6-4-8-20-18;/h2-8,12,15,19H,9-11H2,1H3,(H,20,21);1H
InChIKeyKEDGQJIYGHBFRJ-UHFFFAOYSA-N
MW408.91 g/mol
LogP2.33
Rot. Bonds4

About 3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride

3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride (PubChem CID 120763492) has the molecular formula C18H21ClN4O3S and a molecular weight of 408.91 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride.

Molecular Properties

Compound Name3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride
PubChem CID120763492
Molecular FormulaC18H21ClN4O3S
Molecular Weight408.91 g/mol
Exact Mass408.10
IUPAC Name3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)c1c[nH]c2ncccc12.Cl
InChIInChI=1S/C18H20N4O3S.ClH/c1-25-16-7-3-2-5-13(16)15-11-19-9-10-22(15)26(23,24)17-12-21-18-14(17)6-4-8-20-18;/h2-8,12,15,19H,9-11H2,1H3,(H,20,21);1H
InChIKeyKEDGQJIYGHBFRJ-UHFFFAOYSA-N
XLogP2.33
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2R)-2-methylpiperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 24749263
2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride
CID 120763471
(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 124971463
1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763166
1-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763257
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 120763094
1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763415
5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride
CID 120763453
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 120763173
2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120763011
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methoxyphenyl)piperazine
CID 120763175
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-N-methylbenzamide;hydrochloride
CID 120763352

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride?
The IUPAC name of 3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride (CID 120763492) is 3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride.
What is the SMILES notation for 3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride?
The canonical SMILES for 3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride is COc1ccccc1C1CNCCN1S(=O)(=O)c1c[nH]c2ncccc12.Cl.
What is the InChIKey of 3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride?
The InChIKey is KEDGQJIYGHBFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S.ClH/c1-25-16-7-3-2-5-13(16)15-11-19-9-10-22(15)26(23,24)17-12-21-18-14(17)6-4-8-20-18;/h2-8,12,15,19H,9-11H2,1H3,(H,20,21);1H.
What are the key properties of 3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride?
3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride has a molecular weight of 408.91 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride is sourced from PubChem (CID 120763492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).