4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzenesulfonamide

C19H24N6O3S — CID 5329562

IUPAC4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C19H24N6O3S/c1-20-29(26,27)15-9-7-14(8-10-15)23-19-24-17-16(21-12-22-17)18(25-19)28-11-13-5-3-2-4-6-13/h7-10,12-13,20H,2-6,11H2,1H3,(H2,21,22,23,24,25)
InChIKeyLNYKHAPIJVILRZ-UHFFFAOYSA-N
MW416.51 g/mol
LogP2.96
Rot. Bonds7

About 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzenesulfonamide

4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzenesulfonamide (PubChem CID 5329562) has the molecular formula C19H24N6O3S and a molecular weight of 416.51 g/mol. Its IUPAC name is 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzenesulfonamide
PubChem CID5329562
Molecular FormulaC19H24N6O3S
Molecular Weight416.51 g/mol
Exact Mass416.16
IUPAC Name4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C19H24N6O3S/c1-20-29(26,27)15-9-7-14(8-10-15)23-19-24-17-16(21-12-22-17)18(25-19)28-11-13-5-3-2-4-6-13/h7-10,12-13,20H,2-6,11H2,1H3,(H2,21,22,23,24,25)
InChIKeyLNYKHAPIJVILRZ-UHFFFAOYSA-N
XLogP2.96
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzenesulfonamide 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-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzenesulfonamide (CID 5329562) is 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1.
What is the InChIKey of 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzenesulfonamide?
The InChIKey is LNYKHAPIJVILRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3S/c1-20-29(26,27)15-9-7-14(8-10-15)23-19-24-17-16(21-12-22-17)18(25-19)28-11-13-5-3-2-4-6-13/h7-10,12-13,20H,2-6,11H2,1H3,(H2,21,22,23,24,25).
What are the key properties of 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzenesulfonamide?
4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzenesulfonamide has a molecular weight of 416.51 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 5329562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).