N-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-phenoxybenzenesulfonamide

C25H19N5O4S — CID 67219545

IUPACN-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-phenoxybenzenesulfonamide
SMILESNc1ncnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)c4cccc(Oc5ccccc5)c4)c3)c12
InChIInChI=1S/C25H19N5O4S/c26-24-22-21(14-27-25(22)29-15-28-24)23(31)16-6-4-7-17(12-16)30-35(32,33)20-11-5-10-19(13-20)34-18-8-2-1-3-9-18/h1-15,30H,(H3,26,27,28,29)
InChIKeyLOEOCPDWHMPUTR-UHFFFAOYSA-N
MW485.53 g/mol
LogP4.36
Rot. Bonds7

About N-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-phenoxybenzenesulfonamide

N-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-phenoxybenzenesulfonamide (PubChem CID 67219545) has the molecular formula C25H19N5O4S and a molecular weight of 485.53 g/mol. Its IUPAC name is N-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-phenoxybenzenesulfonamide
PubChem CID67219545
Molecular FormulaC25H19N5O4S
Molecular Weight485.53 g/mol
Exact Mass485.12
IUPAC NameN-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-phenoxybenzenesulfonamide
SMILESNc1ncnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)c4cccc(Oc5ccccc5)c4)c3)c12
InChIInChI=1S/C25H19N5O4S/c26-24-22-21(14-27-25(22)29-15-28-24)23(31)16-6-4-7-17(12-16)30-35(32,33)20-11-5-10-19(13-20)34-18-8-2-1-3-9-18/h1-15,30H,(H3,26,27,28,29)
InChIKeyLOEOCPDWHMPUTR-UHFFFAOYSA-N
XLogP4.36
TPSA140.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.53
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-phenoxybenzenesulfonamide 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-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-pyridin-4-yloxybenzenesulfonamide
CID 67219175
N-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-pyridin-2-yloxybenzenesulfonamide
CID 67220128
N-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-2-chlorobenzenesulfonamide
CID 67219532
N-[3-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 67219893
1-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(4-methoxyphenyl)urea
CID 67219455
3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 142738706
1-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(3,4-dimethylphenyl)urea
CID 67219500
N-methyl-3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 142738756
3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid
CID 44669190
1-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(2,3-dichlorophenyl)urea
CID 67219930
[4-(3-aminoanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone
CID 53258567
1-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(2,4-difluorophenyl)urea
CID 67219449

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-phenoxybenzenesulfonamide?
The IUPAC name of N-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-phenoxybenzenesulfonamide (CID 67219545) is N-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-phenoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-phenoxybenzenesulfonamide?
The canonical SMILES for N-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-phenoxybenzenesulfonamide is Nc1ncnc2[nH]cc(C(=O)c3cccc(NS(=O)(=O)c4cccc(Oc5ccccc5)c4)c3)c12.
What is the InChIKey of N-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-phenoxybenzenesulfonamide?
The InChIKey is LOEOCPDWHMPUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O4S/c26-24-22-21(14-27-25(22)29-15-28-24)23(31)16-6-4-7-17(12-16)30-35(32,33)20-11-5-10-19(13-20)34-18-8-2-1-3-9-18/h1-15,30H,(H3,26,27,28,29).
What are the key properties of N-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-phenoxybenzenesulfonamide?
N-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-phenoxybenzenesulfonamide has a molecular weight of 485.53 g/mol, XLogP of 4.36, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-phenoxybenzenesulfonamide is sourced from PubChem (CID 67219545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).