2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine

C17H18FN3O2S — CID 10337743

IUPAC2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(S(=O)(=O)c2cccc(F)c2)c2cccnc21
InChIInChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
InChIKeySFSFIDVAEMDPIP-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.57
Rot. Bonds5

About 2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine

2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine (PubChem CID 10337743) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine
PubChem CID10337743
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1cc(S(=O)(=O)c2cccc(F)c2)c2cccnc21
InChIInChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
InChIKeySFSFIDVAEMDPIP-UHFFFAOYSA-N
XLogP2.57
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(3-fluorophenyl)sulfonylpyrrolo[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
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-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
3-(3-bromo-benzenesulfonyl)-1-(1-methyl-pyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 44435621
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}benzenesulfonamide
CID 44444869
2-Tert-butyl-5-[(2-fluoro-4-pyridinyl)sulfonyl]-1-(2-methylbutyl)benzimidazole
CID 90654968

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine (CID 10337743) is 2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine is CN(C)CCn1cc(S(=O)(=O)c2cccc(F)c2)c2cccnc21.
What is the InChIKey of 2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine?
The InChIKey is SFSFIDVAEMDPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine?
2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine has a molecular weight of 347.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 10337743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).