4-(6-chloropurin-9-yl)benzenesulfonamide

C11H8ClN5O2S — CID 121379456

IUPAC4-(6-chloropurin-9-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cnc3c(Cl)ncnc32)cc1
InChIInChI=1S/C11H8ClN5O2S/c12-10-9-11(15-5-14-10)17(6-16-9)7-1-3-8(4-2-7)20(13,18)19/h1-6H,(H2,13,18,19)
InChIKeyRCHFXCVJGRHSQY-UHFFFAOYSA-N
MW309.74 g/mol
LogP1.12
Rot. Bonds2

About 4-(6-chloropurin-9-yl)benzenesulfonamide

4-(6-chloropurin-9-yl)benzenesulfonamide (PubChem CID 121379456) has the molecular formula C11H8ClN5O2S and a molecular weight of 309.74 g/mol. Its IUPAC name is 4-(6-chloropurin-9-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(6-chloropurin-9-yl)benzenesulfonamide
PubChem CID121379456
Molecular FormulaC11H8ClN5O2S
Molecular Weight309.74 g/mol
Exact Mass309.01
IUPAC Name4-(6-chloropurin-9-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cnc3c(Cl)ncnc32)cc1
InChIInChI=1S/C11H8ClN5O2S/c12-10-9-11(15-5-14-10)17(6-16-9)7-1-3-8(4-2-7)20(13,18)19/h1-6H,(H2,13,18,19)
InChIKeyRCHFXCVJGRHSQY-UHFFFAOYSA-N
XLogP1.12
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.74
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(6-chloropurin-9-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

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropurin-9-yl)benzenesulfonamide?
The IUPAC name of 4-(6-chloropurin-9-yl)benzenesulfonamide (CID 121379456) is 4-(6-chloropurin-9-yl)benzenesulfonamide.
What is the SMILES notation for 4-(6-chloropurin-9-yl)benzenesulfonamide?
The canonical SMILES for 4-(6-chloropurin-9-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cnc3c(Cl)ncnc32)cc1.
What is the InChIKey of 4-(6-chloropurin-9-yl)benzenesulfonamide?
The InChIKey is RCHFXCVJGRHSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O2S/c12-10-9-11(15-5-14-10)17(6-16-9)7-1-3-8(4-2-7)20(13,18)19/h1-6H,(H2,13,18,19).
What are the key properties of 4-(6-chloropurin-9-yl)benzenesulfonamide?
4-(6-chloropurin-9-yl)benzenesulfonamide has a molecular weight of 309.74 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropurin-9-yl)benzenesulfonamide is sourced from PubChem (CID 121379456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).