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

C28H17F3N4O3S — CID 58368918

IUPACN-[2,4-difluoro-3-[5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide
SMILESO=C(c1c(F)ccc(NS(=O)(=O)c2cccc(F)c2)c1F)c1c[nH]c2ncc(-c3cccc4[nH]ccc34)cc12
InChIInChI=1S/C28H17F3N4O3S/c29-16-3-1-4-17(12-16)39(37,38)35-24-8-7-22(30)25(26(24)31)27(36)21-14-34-28-20(21)11-15(13-33-28)18-5-2-6-23-19(18)9-10-32-23/h1-14,32,35H,(H,33,34)
InChIKeyDUXFWNXRYSNYMT-UHFFFAOYSA-N
MW546.53 g/mol
LogP6.16
Rot. Bonds6

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

N-[2,4-difluoro-3-[5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide (PubChem CID 58368918) has the molecular formula C28H17F3N4O3S and a molecular weight of 546.53 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide
PubChem CID58368918
Molecular FormulaC28H17F3N4O3S
Molecular Weight546.53 g/mol
Exact Mass546.10
IUPAC NameN-[2,4-difluoro-3-[5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide
SMILESO=C(c1c(F)ccc(NS(=O)(=O)c2cccc(F)c2)c1F)c1c[nH]c2ncc(-c3cccc4[nH]ccc34)cc12
InChIInChI=1S/C28H17F3N4O3S/c29-16-3-1-4-17(12-16)39(37,38)35-24-8-7-22(30)25(26(24)31)27(36)21-14-34-28-20(21)11-15(13-33-28)18-5-2-6-23-19(18)9-10-32-23/h1-14,32,35H,(H,33,34)
InChIKeyDUXFWNXRYSNYMT-UHFFFAOYSA-N
XLogP6.16
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.53
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

Vemurafenib
CID 42611257
Plx8394
CID 90116675
Plx4032
CID 53438230
(3S)-N-[3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-3-fluoropyrrolidine-1-sulfonamide
CID 90116353
5-(2-cyclopropylpyrimidin-5-yl)-3-(3-((ethyl(methyl)sulfamoyl)amino)-2,6-difluorobenzoyl)-1H-pyrrolo(2,3-b)pyridine
CID 90116945
2,6-difluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonamido)benzamide
CID 44223627
N-[2-fluoro-3-[5-(2-methoxypyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-1-phenylmethanesulfonamide
CID 146302404
[6-(4-Fluoro-phenyl)-1H-indol-3-yl]-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-phenyl]-methanone
CID 10623837
2,6-difluoro-N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
CID 44223675
N-[2,4-difluoro-3-(5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide
CID 49779385
4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide
CID 49779658
N-[3-[(5-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-1-propanesulfonamide
CID 49779976

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[2,4-difluoro-3-[5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide (CID 58368918) is N-[2,4-difluoro-3-[5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-[5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-[5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide is O=C(c1c(F)ccc(NS(=O)(=O)c2cccc(F)c2)c1F)c1c[nH]c2ncc(-c3cccc4[nH]ccc34)cc12.
What is the InChIKey of N-[2,4-difluoro-3-[5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide?
The InChIKey is DUXFWNXRYSNYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17F3N4O3S/c29-16-3-1-4-17(12-16)39(37,38)35-24-8-7-22(30)25(26(24)31)27(36)21-14-34-28-20(21)11-15(13-33-28)18-5-2-6-23-19(18)9-10-32-23/h1-14,32,35H,(H,33,34).
What are the key properties of N-[2,4-difluoro-3-[5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide?
N-[2,4-difluoro-3-[5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide has a molecular weight of 546.53 g/mol, XLogP of 6.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-[5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 58368918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).