N-(5-fluoro-2-methylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide

C17H18FN3O2S — CID 53174129

IUPACN-(5-fluoro-2-methylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2cc(F)ccc2C)c2cccnc21
InChIInChI=1S/C17H18FN3O2S/c1-3-9-21-11-16(14-5-4-8-19-17(14)21)24(22,23)20-15-10-13(18)7-6-12(15)2/h4-8,10-11,20H,3,9H2,1-2H3
InChIKeyJPAUZMGQXPHBRL-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.69
Rot. Bonds5

About N-(5-fluoro-2-methylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide

N-(5-fluoro-2-methylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide (PubChem CID 53174129) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
PubChem CID53174129
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC NameN-(5-fluoro-2-methylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2cc(F)ccc2C)c2cccnc21
InChIInChI=1S/C17H18FN3O2S/c1-3-9-21-11-16(14-5-4-8-19-17(14)21)24(22,23)20-15-10-13(18)7-6-12(15)2/h4-8,10-11,20H,3,9H2,1-2H3
InChIKeyJPAUZMGQXPHBRL-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide (CID 53174129) is N-(5-fluoro-2-methylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide is CCCn1cc(S(=O)(=O)Nc2cc(F)ccc2C)c2cccnc21.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide?
The InChIKey is JPAUZMGQXPHBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-3-9-21-11-16(14-5-4-8-19-17(14)21)24(22,23)20-15-10-13(18)7-6-12(15)2/h4-8,10-11,20H,3,9H2,1-2H3.
What are the key properties of N-(5-fluoro-2-methylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide?
N-(5-fluoro-2-methylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide has a molecular weight of 347.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-1-propylpyrrolo[2,3-b]pyridine-3-sulfonamide is sourced from PubChem (CID 53174129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).