6-chloro-9-(4-phenylphenyl)sulfonylpurine

C17H11ClN4O2S — CID 71499314

IUPAC6-chloro-9-(4-phenylphenyl)sulfonylpurine
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)n1cnc2c(Cl)ncnc21
InChIInChI=1S/C17H11ClN4O2S/c18-16-15-17(20-10-19-16)22(11-21-15)25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H
InChIKeyUNODXEDWNJRIFG-UHFFFAOYSA-N
MW370.82 g/mol
LogP3.38
Rot. Bonds3

About 6-chloro-9-(4-phenylphenyl)sulfonylpurine

6-chloro-9-(4-phenylphenyl)sulfonylpurine (PubChem CID 71499314) has the molecular formula C17H11ClN4O2S and a molecular weight of 370.82 g/mol. Its IUPAC name is 6-chloro-9-(4-phenylphenyl)sulfonylpurine.

Molecular Properties

Compound Name6-chloro-9-(4-phenylphenyl)sulfonylpurine
PubChem CID71499314
Molecular FormulaC17H11ClN4O2S
Molecular Weight370.82 g/mol
Exact Mass370.03
IUPAC Name6-chloro-9-(4-phenylphenyl)sulfonylpurine
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)n1cnc2c(Cl)ncnc21
InChIInChI=1S/C17H11ClN4O2S/c18-16-15-17(20-10-19-16)22(11-21-15)25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H
InChIKeyUNODXEDWNJRIFG-UHFFFAOYSA-N
XLogP3.38
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(6-chloropurin-9-yl)sulfonylphenyl]-N-methylhydroxylamine
CID 123962345
4-(6-chloropurin-9-yl)benzenesulfonamide
CID 121379456
1-(benzenesulfonyl)-4-chloro-3-iodopyrazolo[5,4-d]pyrimidine
CID 135392866
1-(benzenesulfonyl)-3-bromo-4-chloropyrazolo[5,4-d]pyrimidine
CID 86053731
CID 164970592
CID 164970592
3-phenyl-1-(4-phenylphenyl)sulfonyl-1,2,4-triazole
CID 155213349
6-azido-9-(4-methoxyphenyl)sulfonylpurine
CID 71499285
1-(4-chlorophenyl)sulfonylbenzimidazole
CID 746713
4-chloro-N-[6-chloro-5-(4-phenylphenyl)pyrimidin-4-yl]benzenesulfonamide
CID 19735447
6-chloro-9-(6-chloropurin-9-yl)oxypurine
CID 174748519
6-chloro-9-(3-chlorophenyl)purine
CID 14322386
4-chloro-7-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]pyrrolo[2,3-d]pyrimidine
CID 175673414

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-(4-phenylphenyl)sulfonylpurine?
The IUPAC name of 6-chloro-9-(4-phenylphenyl)sulfonylpurine (CID 71499314) is 6-chloro-9-(4-phenylphenyl)sulfonylpurine.
What is the SMILES notation for 6-chloro-9-(4-phenylphenyl)sulfonylpurine?
The canonical SMILES for 6-chloro-9-(4-phenylphenyl)sulfonylpurine is O=S(=O)(c1ccc(-c2ccccc2)cc1)n1cnc2c(Cl)ncnc21.
What is the InChIKey of 6-chloro-9-(4-phenylphenyl)sulfonylpurine?
The InChIKey is UNODXEDWNJRIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O2S/c18-16-15-17(20-10-19-16)22(11-21-15)25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 6-chloro-9-(4-phenylphenyl)sulfonylpurine?
6-chloro-9-(4-phenylphenyl)sulfonylpurine has a molecular weight of 370.82 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-(4-phenylphenyl)sulfonylpurine is sourced from PubChem (CID 71499314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).