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

C17H19N3O2S — CID 11709684

IUPAC2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2cccnc21
InChIInChI=1S/C17H19N3O2S/c1-19(2)11-12-20-13-16(15-9-6-10-18-17(15)20)23(21,22)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyNXGLQPLKYZTCKK-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.43
Rot. Bonds5

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

2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine (PubChem CID 11709684) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine
PubChem CID11709684
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2cccnc21
InChIInChI=1S/C17H19N3O2S/c1-19(2)11-12-20-13-16(15-9-6-10-18-17(15)20)23(21,22)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3
InChIKeyNXGLQPLKYZTCKK-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Zolimidine
CID 14652
E6Clv6G2RR
CID 16750138
Way-208466
CID 10337743
Pyrrolopyrimidine 20
CID 23646632
N-(2-{3-[(3-Chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethyl)-N-methylamine
CID 9950255
N,N-Dimethyl-N-{2-[3-(1-naphthylsulfonyl)-1Hpyrrolo[2,3-b]pyridin-1-yl]ethyl}amine
CID 10407367
N-(2-{3-[(3-Fluorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethyl)-N-methylamine
CID 10449488
3-(Phenylsulfonyl)-1H-pyrrolo(2,3-b)pyridine
CID 22028181
Pyrrolopyrimidine 23
CID 23646635
6-Chloro-5-[1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]sulfonyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole
CID 44433194
6-Chloro-5-(1-piperidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole
CID 44433196
6-Chloro-5-[1-(1-ethylpiperidin-3-yl)pyrrolo[2,3-b]pyridin-3-yl]sulfonyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole
CID 44433198

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine (CID 11709684) is 2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine is CN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2cccnc21.
What is the InChIKey of 2-[3-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine?
The InChIKey is NXGLQPLKYZTCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-19(2)11-12-20-13-16(15-9-6-10-18-17(15)20)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[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine?
2-[3-(benzenesulfonyl)pyrrolo[2,3-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[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 11709684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).