N-[3-[(5-chloropyrrolo[2,3-b]pyridin-3-yl)methyl]-2,4-difluorophenyl]-3-(trifluoromethyl)benzenesulfonamide

C21H11ClF5N3O2S — CID 143384167

IUPACN-[3-[(5-chloropyrrolo[2,3-b]pyridin-3-yl)methyl]-2,4-difluorophenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(CC2=C=Nc3ncc(Cl)cc32)c1F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H11ClF5N3O2S/c22-13-8-15-11(9-28-20(15)29-10-13)6-16-17(23)4-5-18(19(16)24)30-33(31,32)14-3-1-2-12(7-14)21(25,26)27/h1-5,7-8,10,30H,6H2
InChIKeyXRVMYKJOQJTKFX-UHFFFAOYSA-N
MW499.85 g/mol
LogP5.77
Rot. Bonds5

About N-[3-[(5-chloropyrrolo[2,3-b]pyridin-3-yl)methyl]-2,4-difluorophenyl]-3-(trifluoromethyl)benzenesulfonamide

N-[3-[(5-chloropyrrolo[2,3-b]pyridin-3-yl)methyl]-2,4-difluorophenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 143384167) has the molecular formula C21H11ClF5N3O2S and a molecular weight of 499.85 g/mol. Its IUPAC name is N-[3-[(5-chloropyrrolo[2,3-b]pyridin-3-yl)methyl]-2,4-difluorophenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(5-chloropyrrolo[2,3-b]pyridin-3-yl)methyl]-2,4-difluorophenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID143384167
Molecular FormulaC21H11ClF5N3O2S
Molecular Weight499.85 g/mol
Exact Mass499.02
IUPAC NameN-[3-[(5-chloropyrrolo[2,3-b]pyridin-3-yl)methyl]-2,4-difluorophenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(CC2=C=Nc3ncc(Cl)cc32)c1F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H11ClF5N3O2S/c22-13-8-15-11(9-28-20(15)29-10-13)6-16-17(23)4-5-18(19(16)24)30-33(31,32)14-3-1-2-12(7-14)21(25,26)27/h1-5,7-8,10,30H,6H2
InChIKeyXRVMYKJOQJTKFX-UHFFFAOYSA-N
XLogP5.77
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.85
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[(5-chloropyrrolo[2,3-b]pyridin-3-yl)methyl]-2,4-difluorophenyl]-3-(trifluoromethyl)benzenesulfonamide 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

N-[2,4-difluoro-3-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 58086297
N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3851411
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
N-(4-fluoro-3-formyl-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 162582675
N-(4-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide
CID 10161709
N-methyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 52838841
N-[2-fluoro-4-methyl-5-(2-methylbutan-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 170149312
N,N-diethyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 25331420
(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-difluoro-3-[[methylidene-oxo-[3-(trifluoromethyl)phenyl]-λ6-sulfanyl]amino]phenyl]methanone
CID 143384309
N-[6-[2,6-difluoro-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
CID 156832942
N-[2-amino-4-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16771222
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 24502255

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-chloropyrrolo[2,3-b]pyridin-3-yl)methyl]-2,4-difluorophenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-[(5-chloropyrrolo[2,3-b]pyridin-3-yl)methyl]-2,4-difluorophenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 143384167) is N-[3-[(5-chloropyrrolo[2,3-b]pyridin-3-yl)methyl]-2,4-difluorophenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-[(5-chloropyrrolo[2,3-b]pyridin-3-yl)methyl]-2,4-difluorophenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-[(5-chloropyrrolo[2,3-b]pyridin-3-yl)methyl]-2,4-difluorophenyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)c(CC2=C=Nc3ncc(Cl)cc32)c1F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[(5-chloropyrrolo[2,3-b]pyridin-3-yl)methyl]-2,4-difluorophenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XRVMYKJOQJTKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11ClF5N3O2S/c22-13-8-15-11(9-28-20(15)29-10-13)6-16-17(23)4-5-18(19(16)24)30-33(31,32)14-3-1-2-12(7-14)21(25,26)27/h1-5,7-8,10,30H,6H2.
What are the key properties of N-[3-[(5-chloropyrrolo[2,3-b]pyridin-3-yl)methyl]-2,4-difluorophenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[3-[(5-chloropyrrolo[2,3-b]pyridin-3-yl)methyl]-2,4-difluorophenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 499.85 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-chloropyrrolo[2,3-b]pyridin-3-yl)methyl]-2,4-difluorophenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 143384167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).