N-(3-fluorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide

C17H18FN3O2S — CID 53174170

IUPACN-(3-fluorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCC(C)Cn1cc(S(=O)(=O)Nc2cccc(F)c2)c2cccnc21
InChIInChI=1S/C17H18FN3O2S/c1-12(2)10-21-11-16(15-7-4-8-19-17(15)21)24(22,23)20-14-6-3-5-13(18)9-14/h3-9,11-12,20H,10H2,1-2H3
InChIKeyBNYVYLKOJMWFTH-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.63
Rot. Bonds5

About N-(3-fluorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide

N-(3-fluorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 53174170) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID53174170
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC NameN-(3-fluorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCC(C)Cn1cc(S(=O)(=O)Nc2cccc(F)c2)c2cccnc21
InChIInChI=1S/C17H18FN3O2S/c1-12(2)10-21-11-16(15-7-4-8-19-17(15)21)24(22,23)20-14-6-3-5-13(18)9-14/h3-9,11-12,20H,10H2,1-2H3
InChIKeyBNYVYLKOJMWFTH-UHFFFAOYSA-N
XLogP3.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylphenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174152
N-(2-chlorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174190
3-fluoro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]benzenesulfonamide
CID 53144909
N-(3-ethylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174101
N-cycloheptyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174159
1-ethyl-N-(4-fluoro-2-methylphenyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174032
N-[(2-chlorophenyl)methyl]-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53040471
N-(5-fluoro-2-methylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174129
N-(3-fluorophenyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103303892
N-(2-fluorophenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174112
4-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]sulfonylthiomorpholine
CID 53174187
N-(4-methylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174059

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(3-fluorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide (CID 53174170) is N-(3-fluorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide is CC(C)Cn1cc(S(=O)(=O)Nc2cccc(F)c2)c2cccnc21.
What is the InChIKey of N-(3-fluorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is BNYVYLKOJMWFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-12(2)10-21-11-16(15-7-4-8-19-17(15)21)24(22,23)20-14-6-3-5-13(18)9-14/h3-9,11-12,20H,10H2,1-2H3.
What are the key properties of N-(3-fluorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(3-fluorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 347.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-(2-methylpropyl)pyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 53174170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).