N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-2-sulfonamide

C20H14F2N4O4S — CID 24998642

IUPACN-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-2-sulfonamide
SMILESCOc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccccn4)c3F)c2c1
InChIInChI=1S/C20H14F2N4O4S/c1-30-11-8-12-13(10-25-20(12)24-9-11)19(27)17-14(21)5-6-15(18(17)22)26-31(28,29)16-4-2-3-7-23-16/h2-10,26H,1H3,(H,24,25)
InChIKeyRYGBYFFANLJARQ-UHFFFAOYSA-N
MW444.42 g/mol
LogP3.28
Rot. Bonds6

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

N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-2-sulfonamide (PubChem CID 24998642) has the molecular formula C20H14F2N4O4S and a molecular weight of 444.42 g/mol. Its IUPAC name is N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-2-sulfonamide
PubChem CID24998642
Molecular FormulaC20H14F2N4O4S
Molecular Weight444.42 g/mol
Exact Mass444.07
IUPAC NameN-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-2-sulfonamide
SMILESCOc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccccn4)c3F)c2c1
InChIInChI=1S/C20H14F2N4O4S/c1-30-11-8-12-13(10-25-20(12)24-9-11)19(27)17-14(21)5-6-15(18(17)22)26-31(28,29)16-4-2-3-7-23-16/h2-10,26H,1H3,(H,24,25)
InChIKeyRYGBYFFANLJARQ-UHFFFAOYSA-N
XLogP3.28
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-2-sulfonamide 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-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-2-sulfonamide?
The IUPAC name of N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-2-sulfonamide (CID 24998642) is N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-2-sulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-2-sulfonamide is COc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccccn4)c3F)c2c1.
What is the InChIKey of N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-2-sulfonamide?
The InChIKey is RYGBYFFANLJARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O4S/c1-30-11-8-12-13(10-25-20(12)24-9-11)19(27)17-14(21)5-6-15(18(17)22)26-31(28,29)16-4-2-3-7-23-16/h2-10,26H,1H3,(H,24,25).
What are the key properties of N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-2-sulfonamide?
N-[2,4-difluoro-3-(5-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-2-sulfonamide has a molecular weight of 444.42 g/mol, XLogP of 3.28, 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-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyridine-2-sulfonamide is sourced from PubChem (CID 24998642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).