N-[3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide

C19H19F2N3O4S — CID 25030411

IUPACN-[3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(OCC)cc23)c1F
InChIInChI=1S/C19H19F2N3O4S/c1-3-7-29(26,27)24-15-6-5-14(20)16(17(15)21)18(25)13-10-23-19-12(13)8-11(9-22-19)28-4-2/h5-6,8-10,24H,3-4,7H2,1-2H3,(H,22,23)
InChIKeyPSLZQOOHQJGZOI-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.62
Rot. Bonds8

About N-[3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide

N-[3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide (PubChem CID 25030411) has the molecular formula C19H19F2N3O4S and a molecular weight of 423.44 g/mol. Its IUPAC name is N-[3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide
PubChem CID25030411
Molecular FormulaC19H19F2N3O4S
Molecular Weight423.44 g/mol
Exact Mass423.11
IUPAC NameN-[3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(OCC)cc23)c1F
InChIInChI=1S/C19H19F2N3O4S/c1-3-7-29(26,27)24-15-6-5-14(20)16(17(15)21)18(25)13-10-23-19-12(13)8-11(9-22-19)28-4-2/h5-6,8-10,24H,3-4,7H2,1-2H3,(H,22,23)
InChIKeyPSLZQOOHQJGZOI-UHFFFAOYSA-N
XLogP3.62
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide (CID 25030411) is N-[3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(OCC)cc23)c1F.
What is the InChIKey of N-[3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide?
The InChIKey is PSLZQOOHQJGZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O4S/c1-3-7-29(26,27)24-15-6-5-14(20)16(17(15)21)18(25)13-10-23-19-12(13)8-11(9-22-19)28-4-2/h5-6,8-10,24H,3-4,7H2,1-2H3,(H,22,23).
What are the key properties of N-[3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide?
N-[3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide has a molecular weight of 423.44 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-ethoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide is sourced from PubChem (CID 25030411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).