N-[2,4-difluoro-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide

C20H20F2N4O4S — CID 58087525

IUPACN-[2,4-difluoro-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(N4CCOCC4)cc23)c1F
InChIInChI=1S/C20H20F2N4O4S/c1-2-31(28,29)25-16-4-3-15(21)17(18(16)22)19(27)14-11-24-20-13(14)9-12(10-23-20)26-5-7-30-8-6-26/h3-4,9-11,25H,2,5-8H2,1H3,(H,23,24)
InChIKeySADJOXHOSUJMCL-UHFFFAOYSA-N
MW450.47 g/mol
LogP2.67
Rot. Bonds6

About N-[2,4-difluoro-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide

N-[2,4-difluoro-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide (PubChem CID 58087525) has the molecular formula C20H20F2N4O4S and a molecular weight of 450.47 g/mol. Its IUPAC name is N-[2,4-difluoro-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide
PubChem CID58087525
Molecular FormulaC20H20F2N4O4S
Molecular Weight450.47 g/mol
Exact Mass450.12
IUPAC NameN-[2,4-difluoro-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(N4CCOCC4)cc23)c1F
InChIInChI=1S/C20H20F2N4O4S/c1-2-31(28,29)25-16-4-3-15(21)17(18(16)22)19(27)14-11-24-20-13(14)9-12(10-23-20)26-5-7-30-8-6-26/h3-4,9-11,25H,2,5-8H2,1H3,(H,23,24)
InChIKeySADJOXHOSUJMCL-UHFFFAOYSA-N
XLogP2.67
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2,4-difluoro-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[2,4-difluoro-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide (CID 58087525) is N-[2,4-difluoro-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(N4CCOCC4)cc23)c1F.
What is the InChIKey of N-[2,4-difluoro-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide?
The InChIKey is SADJOXHOSUJMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O4S/c1-2-31(28,29)25-16-4-3-15(21)17(18(16)22)19(27)14-11-24-20-13(14)9-12(10-23-20)26-5-7-30-8-6-26/h3-4,9-11,25H,2,5-8H2,1H3,(H,23,24).
What are the key properties of N-[2,4-difluoro-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide?
N-[2,4-difluoro-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide has a molecular weight of 450.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 58087525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).