N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

C16H16FN3O3S — CID 56790971

IUPACN-[2-(3-fluorophenoxy)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCN(CCOc1cccc(F)c1)S(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C16H16FN3O3S/c1-20(8-9-23-13-5-2-4-12(17)10-13)24(21,22)15-11-19-16-14(15)6-3-7-18-16/h2-7,10-11H,8-9H2,1H3,(H,18,19)
InChIKeyJTKULYGHCGGKSQ-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.40
Rot. Bonds6

About N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 56790971) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID56790971
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC NameN-[2-(3-fluorophenoxy)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCN(CCOc1cccc(F)c1)S(=O)(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C16H16FN3O3S/c1-20(8-9-23-13-5-2-4-12(17)10-13)24(21,22)15-11-19-16-14(15)6-3-7-18-16/h2-7,10-11H,8-9H2,1H3,(H,18,19)
InChIKeyJTKULYGHCGGKSQ-UHFFFAOYSA-N
XLogP2.40
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61170221
1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene
CID 112686090
N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 115317706
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 79652133
N-ethyl-N-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 61170220
N-(azetidin-3-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 66184781
2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide
CID 100632666
3-[3-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989974
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 119967438
3-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 104741689
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 128975358
3-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 55989267

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 56790971) is N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is CN(CCOc1cccc(F)c1)S(=O)(=O)c1c[nH]c2ncccc12.
What is the InChIKey of N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is JTKULYGHCGGKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-20(8-9-23-13-5-2-4-12(17)10-13)24(21,22)15-11-19-16-14(15)6-3-7-18-16/h2-7,10-11H,8-9H2,1H3,(H,18,19).
What are the key properties of N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 349.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 56790971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).