N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-(furan-2-yl)benzenesulfonamide

C24H15F2N3O4S — CID 58230720

IUPACN-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-(furan-2-yl)benzenesulfonamide
SMILESO=C(c1c(F)ccc(NS(=O)(=O)c2ccc(-c3ccco3)cc2)c1F)c1c[nH]c2ncccc12
InChIInChI=1S/C24H15F2N3O4S/c25-18-9-10-19(22(26)21(18)23(30)17-13-28-24-16(17)3-1-11-27-24)29-34(31,32)15-7-5-14(6-8-15)20-4-2-12-33-20/h1-13,29H,(H,27,28)
InChIKeyGXAPEBWWLXYZNN-UHFFFAOYSA-N
MW479.46 g/mol
LogP5.13
Rot. Bonds6

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

N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-(furan-2-yl)benzenesulfonamide (PubChem CID 58230720) has the molecular formula C24H15F2N3O4S and a molecular weight of 479.46 g/mol. Its IUPAC name is N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-(furan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-(furan-2-yl)benzenesulfonamide
PubChem CID58230720
Molecular FormulaC24H15F2N3O4S
Molecular Weight479.46 g/mol
Exact Mass479.08
IUPAC NameN-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-(furan-2-yl)benzenesulfonamide
SMILESO=C(c1c(F)ccc(NS(=O)(=O)c2ccc(-c3ccco3)cc2)c1F)c1c[nH]c2ncccc12
InChIInChI=1S/C24H15F2N3O4S/c25-18-9-10-19(22(26)21(18)23(30)17-13-28-24-16(17)3-1-11-27-24)29-34(31,32)15-7-5-14(6-8-15)20-4-2-12-33-20/h1-13,29H,(H,27,28)
InChIKeyGXAPEBWWLXYZNN-UHFFFAOYSA-N
XLogP5.13
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.46
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-(furan-2-yl)benzenesulfonamide 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-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-(furan-2-yl)benzenesulfonamide?
The IUPAC name of N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-(furan-2-yl)benzenesulfonamide (CID 58230720) is N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-(furan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-(furan-2-yl)benzenesulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-(furan-2-yl)benzenesulfonamide is O=C(c1c(F)ccc(NS(=O)(=O)c2ccc(-c3ccco3)cc2)c1F)c1c[nH]c2ncccc12.
What is the InChIKey of N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-(furan-2-yl)benzenesulfonamide?
The InChIKey is GXAPEBWWLXYZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2N3O4S/c25-18-9-10-19(22(26)21(18)23(30)17-13-28-24-16(17)3-1-11-27-24)29-34(31,32)15-7-5-14(6-8-15)20-4-2-12-33-20/h1-13,29H,(H,27,28).
What are the key properties of N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-(furan-2-yl)benzenesulfonamide?
N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-(furan-2-yl)benzenesulfonamide has a molecular weight of 479.46 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]-4-(furan-2-yl)benzenesulfonamide is sourced from PubChem (CID 58230720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).