4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzenesulfonamide

C19H23N5O4S — CID 52933688

IUPAC4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzenesulfonamide
SMILESCCCn1c(Oc2ccc(S(N)(=O)=O)cc2)nc2nc(C3CCCC3)[nH]c2c1=O
InChIInChI=1S/C19H23N5O4S/c1-2-11-24-18(25)15-17(22-16(21-15)12-5-3-4-6-12)23-19(24)28-13-7-9-14(10-8-13)29(20,26)27/h7-10,12H,2-6,11H2,1H3,(H,21,22)(H2,20,26,27)
InChIKeyJMNCFECSCPERMT-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.63
Rot. Bonds6

About 4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzenesulfonamide

4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzenesulfonamide (PubChem CID 52933688) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzenesulfonamide
PubChem CID52933688
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzenesulfonamide
SMILESCCCn1c(Oc2ccc(S(N)(=O)=O)cc2)nc2nc(C3CCCC3)[nH]c2c1=O
InChIInChI=1S/C19H23N5O4S/c1-2-11-24-18(25)15-17(22-16(21-15)12-5-3-4-6-12)23-19(24)28-13-7-9-14(10-8-13)29(20,26)27/h7-10,12H,2-6,11H2,1H3,(H,21,22)(H2,20,26,27)
InChIKeyJMNCFECSCPERMT-UHFFFAOYSA-N
XLogP2.63
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]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-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzenesulfonamide?
The IUPAC name of 4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzenesulfonamide (CID 52933688) is 4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzenesulfonamide.
What is the SMILES notation for 4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzenesulfonamide?
The canonical SMILES for 4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzenesulfonamide is CCCn1c(Oc2ccc(S(N)(=O)=O)cc2)nc2nc(C3CCCC3)[nH]c2c1=O.
What is the InChIKey of 4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzenesulfonamide?
The InChIKey is JMNCFECSCPERMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-2-11-24-18(25)15-17(22-16(21-15)12-5-3-4-6-12)23-19(24)28-13-7-9-14(10-8-13)29(20,26)27/h7-10,12H,2-6,11H2,1H3,(H,21,22)(H2,20,26,27).
What are the key properties of 4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzenesulfonamide?
4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzenesulfonamide has a molecular weight of 417.49 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-cyclopentyl-6-oxo-1-propyl-7H-purin-2-yl)oxy]benzenesulfonamide is sourced from PubChem (CID 52933688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).