4-(4-azido-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide

C18H13N7O2S — CID 11632532

IUPAC4-(4-azido-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide
SMILES[N-]=[N+]=Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H13N7O2S/c19-24-23-17-16-15(12-4-2-1-3-5-12)10-25(18(16)22-11-21-17)13-6-8-14(9-7-13)28(20,26)27/h1-11H,(H2,20,26,27)
InChIKeyFPFGKNVROGJJLI-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.68
Rot. Bonds4

About 4-(4-azido-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide

4-(4-azido-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide (PubChem CID 11632532) has the molecular formula C18H13N7O2S and a molecular weight of 391.42 g/mol. Its IUPAC name is 4-(4-azido-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-azido-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide
PubChem CID11632532
Molecular FormulaC18H13N7O2S
Molecular Weight391.42 g/mol
Exact Mass391.09
IUPAC Name4-(4-azido-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide
SMILES[N-]=[N+]=Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H13N7O2S/c19-24-23-17-16-15(12-4-2-1-3-5-12)10-25(18(16)22-11-21-17)13-6-8-14(9-7-13)28(20,26)27/h1-11H,(H2,20,26,27)
InChIKeyFPFGKNVROGJJLI-UHFFFAOYSA-N
XLogP3.68
TPSA139.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 4-(4-azido-5-phenylpyrrolo[2,3-d]pyrimidin-7-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

Related Compounds

4-[4-[(2E)-2-benzylidenehydrazinyl]-5-(4-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 162670037
4-chloro-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 2049547
4-[3-benzoyl-5-(4-bromophenyl)-4-oxo-2-phenylpyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 118716513
4-[12-(4-bromophenyl)-3,4,5,6,8,10-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]benzenesulfonamide
CID 90645423
7-(4-fluorophenyl)-N,5-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 3391969
7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54548436
4-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 19085974
7-(4-chlorophenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-5-phenylpyrrolo[2,3-d]pyrimidine
CID 171336538
7-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-5-phenylpyrrolo[2,3-d]pyrimidine
CID 4232749
7-(4-methylphenyl)-5-phenyl-N-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4083194
N-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 3523813
4-azidobenzenesulfonamide
CID 3558590

Frequently Asked Questions

What is the IUPAC name of 4-(4-azido-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide?
The IUPAC name of 4-(4-azido-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide (CID 11632532) is 4-(4-azido-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-azido-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-azido-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide is [N-]=[N+]=Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(4-azido-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide?
The InChIKey is FPFGKNVROGJJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7O2S/c19-24-23-17-16-15(12-4-2-1-3-5-12)10-25(18(16)22-11-21-17)13-6-8-14(9-7-13)28(20,26)27/h1-11H,(H2,20,26,27).
What are the key properties of 4-(4-azido-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide?
4-(4-azido-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide has a molecular weight of 391.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-azido-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)benzenesulfonamide is sourced from PubChem (CID 11632532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).