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

C17H19N3O2S — CID 71463516

IUPAC2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1cn(S(=O)(=O)c2ccccc2)c2ccncc12
InChIInChI=1S/C17H19N3O2S/c1-19(2)11-9-14-13-20(17-8-10-18-12-16(14)17)23(21,22)15-6-4-3-5-7-15/h3-8,10,12-13H,9,11H2,1-2H3
InChIKeyGLIKXGUKJACLEU-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.38
Rot. Bonds5

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

2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-3-yl]-N,N-dimethylethanamine (PubChem CID 71463516) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-3-yl]-N,N-dimethylethanamine
PubChem CID71463516
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1cn(S(=O)(=O)c2ccccc2)c2ccncc12
InChIInChI=1S/C17H19N3O2S/c1-19(2)11-9-14-13-20(17-8-10-18-12-16(14)17)23(21,22)15-6-4-3-5-7-15/h3-8,10,12-13H,9,11H2,1-2H3
InChIKeyGLIKXGUKJACLEU-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-3-yl]-N,N-dimethylethanamine (CID 71463516) is 2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-3-yl]-N,N-dimethylethanamine is CN(C)CCc1cn(S(=O)(=O)c2ccccc2)c2ccncc12.
What is the InChIKey of 2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-3-yl]-N,N-dimethylethanamine?
The InChIKey is GLIKXGUKJACLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-19(2)11-9-14-13-20(17-8-10-18-12-16(14)17)23(21,22)15-6-4-3-5-7-15/h3-8,10,12-13H,9,11H2,1-2H3.
What are the key properties of 2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-3-yl]-N,N-dimethylethanamine?
2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-3-yl]-N,N-dimethylethanamine has a molecular weight of 329.43 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 71463516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).