4-phenyl-N-(7H-purin-6-yl)benzenesulfonamide

C17H13N5O2S — CID 122531268

IUPAC4-phenyl-N-(7H-purin-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncnc2nc[nH]c12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H13N5O2S/c23-25(24,22-17-15-16(19-10-18-15)20-11-21-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H2,18,19,20,21,22)
InChIKeyHJPMBPGZHWWGBA-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.82
Rot. Bonds4

About 4-phenyl-N-(7H-purin-6-yl)benzenesulfonamide

4-phenyl-N-(7H-purin-6-yl)benzenesulfonamide (PubChem CID 122531268) has the molecular formula C17H13N5O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is 4-phenyl-N-(7H-purin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-phenyl-N-(7H-purin-6-yl)benzenesulfonamide
PubChem CID122531268
Molecular FormulaC17H13N5O2S
Molecular Weight351.39 g/mol
Exact Mass351.08
IUPAC Name4-phenyl-N-(7H-purin-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncnc2nc[nH]c12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H13N5O2S/c23-25(24,22-17-15-16(19-10-18-15)20-11-21-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H2,18,19,20,21,22)
InChIKeyHJPMBPGZHWWGBA-UHFFFAOYSA-N
XLogP2.82
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(7H-purin-6-yl)benzenesulfonamide?
The IUPAC name of 4-phenyl-N-(7H-purin-6-yl)benzenesulfonamide (CID 122531268) is 4-phenyl-N-(7H-purin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-phenyl-N-(7H-purin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-phenyl-N-(7H-purin-6-yl)benzenesulfonamide is O=S(=O)(Nc1ncnc2nc[nH]c12)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-(7H-purin-6-yl)benzenesulfonamide?
The InChIKey is HJPMBPGZHWWGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S/c23-25(24,22-17-15-16(19-10-18-15)20-11-21-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,(H2,18,19,20,21,22).
What are the key properties of 4-phenyl-N-(7H-purin-6-yl)benzenesulfonamide?
4-phenyl-N-(7H-purin-6-yl)benzenesulfonamide has a molecular weight of 351.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(7H-purin-6-yl)benzenesulfonamide is sourced from PubChem (CID 122531268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).