2-[3-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-1-yl]-N,N-dimethylethanamine

C17H19N3O2S — CID 22028199

IUPAC2-[3-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2ncccc21
InChIInChI=1S/C17H19N3O2S/c1-19(2)11-12-20-13-16(17-15(20)9-6-10-18-17)23(21,22)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyJRPFDOYNCLFLJE-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.43
Rot. Bonds5

About 2-[3-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-1-yl]-N,N-dimethylethanamine

2-[3-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-1-yl]-N,N-dimethylethanamine (PubChem CID 22028199) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-1-yl]-N,N-dimethylethanamine
PubChem CID22028199
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-[3-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2ncccc21
InChIInChI=1S/C17H19N3O2S/c1-19(2)11-12-20-13-16(17-15(20)9-6-10-18-17)23(21,22)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyJRPFDOYNCLFLJE-UHFFFAOYSA-N
XLogP2.43
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-1-yl]-N,N-dimethylethanamine (CID 22028199) is 2-[3-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-1-yl]-N,N-dimethylethanamine is CN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2ncccc21.
What is the InChIKey of 2-[3-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-1-yl]-N,N-dimethylethanamine?
The InChIKey is JRPFDOYNCLFLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-19(2)11-12-20-13-16(17-15(20)9-6-10-18-17)23(21,22)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-[3-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-1-yl]-N,N-dimethylethanamine?
2-[3-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-1-yl]-N,N-dimethylethanamine has a molecular weight of 329.43 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 22028199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).