2-[3-(2,5-dimethoxyphenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine

C17H19N3O4S — CID 11508786

IUPAC2-[3-(2,5-dimethoxyphenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine
SMILESCOc1ccc(OC)c(S(=O)(=O)c2cn(CCN)c3ncccc23)c1
InChIInChI=1S/C17H19N3O4S/c1-23-12-5-6-14(24-2)15(10-12)25(21,22)16-11-20(9-7-18)17-13(16)4-3-8-19-17/h3-6,8,10-11H,7,9,18H2,1-2H3
InChIKeyGQZLVVHPKSUMOI-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.85
Rot. Bonds6

About 2-[3-(2,5-dimethoxyphenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine

2-[3-(2,5-dimethoxyphenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine (PubChem CID 11508786) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[3-(2,5-dimethoxyphenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2,5-dimethoxyphenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine
PubChem CID11508786
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name2-[3-(2,5-dimethoxyphenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine
SMILESCOc1ccc(OC)c(S(=O)(=O)c2cn(CCN)c3ncccc23)c1
InChIInChI=1S/C17H19N3O4S/c1-23-12-5-6-14(24-2)15(10-12)25(21,22)16-11-20(9-7-18)17-13(16)4-3-8-19-17/h3-6,8,10-11H,7,9,18H2,1-2H3
InChIKeyGQZLVVHPKSUMOI-UHFFFAOYSA-N
XLogP1.85
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine
CID 71840197
2-(3-pentylsulfonylpyrrolo[2,3-b]pyridin-1-yl)ethanamine
CID 68853215
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
2,5-dimethoxy-N-(2-methoxy-3-pyridinyl)benzenesulfonamide
CID 47038313
2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 46286463
1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene
CID 132609518
N-(4-methoxyphenyl)-1-methylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174001
5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144771
2-[3-[(6-chloro-5H-imidazo[2,1-b][1,3]thiazol-6-yl)sulfonyl]pyrrolo[2,3-b]pyridin-1-yl]ethanamine
CID 69497639
2-[3-[(3R)-1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethanamine
CID 92594575
2-[5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-pyridinyl]pyrimidine
CID 149046563
2,5-dimethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226767

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dimethoxyphenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine?
The IUPAC name of 2-[3-(2,5-dimethoxyphenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine (CID 11508786) is 2-[3-(2,5-dimethoxyphenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(2,5-dimethoxyphenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine?
The canonical SMILES for 2-[3-(2,5-dimethoxyphenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine is COc1ccc(OC)c(S(=O)(=O)c2cn(CCN)c3ncccc23)c1.
What is the InChIKey of 2-[3-(2,5-dimethoxyphenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine?
The InChIKey is GQZLVVHPKSUMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-23-12-5-6-14(24-2)15(10-12)25(21,22)16-11-20(9-7-18)17-13(16)4-3-8-19-17/h3-6,8,10-11H,7,9,18H2,1-2H3.
What are the key properties of 2-[3-(2,5-dimethoxyphenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine?
2-[3-(2,5-dimethoxyphenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine has a molecular weight of 361.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dimethoxyphenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine is sourced from PubChem (CID 11508786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).