2,6-dichloro-N,N-diethylpurine-9-sulfonamide

C9H11Cl2N5O2S — CID 155590172

IUPAC2,6-dichloro-N,N-diethylpurine-9-sulfonamide
SMILESCCN(CC)S(=O)(=O)n1cnc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C9H11Cl2N5O2S/c1-3-15(4-2)19(17,18)16-5-12-6-7(10)13-9(11)14-8(6)16/h5H,3-4H2,1-2H3
InChIKeyKALIGOCEHBEGSB-UHFFFAOYSA-N
MW324.19 g/mol
LogP1.57
Rot. Bonds4

About 2,6-dichloro-N,N-diethylpurine-9-sulfonamide

2,6-dichloro-N,N-diethylpurine-9-sulfonamide (PubChem CID 155590172) has the molecular formula C9H11Cl2N5O2S and a molecular weight of 324.19 g/mol. Its IUPAC name is 2,6-dichloro-N,N-diethylpurine-9-sulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N,N-diethylpurine-9-sulfonamide
PubChem CID155590172
Molecular FormulaC9H11Cl2N5O2S
Molecular Weight324.19 g/mol
Exact Mass323.00
IUPAC Name2,6-dichloro-N,N-diethylpurine-9-sulfonamide
SMILESCCN(CC)S(=O)(=O)n1cnc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C9H11Cl2N5O2S/c1-3-15(4-2)19(17,18)16-5-12-6-7(10)13-9(11)14-8(6)16/h5H,3-4H2,1-2H3
InChIKeyKALIGOCEHBEGSB-UHFFFAOYSA-N
XLogP1.57
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N,N-diethylpurine-9-sulfonamide?
The IUPAC name of 2,6-dichloro-N,N-diethylpurine-9-sulfonamide (CID 155590172) is 2,6-dichloro-N,N-diethylpurine-9-sulfonamide.
What is the SMILES notation for 2,6-dichloro-N,N-diethylpurine-9-sulfonamide?
The canonical SMILES for 2,6-dichloro-N,N-diethylpurine-9-sulfonamide is CCN(CC)S(=O)(=O)n1cnc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 2,6-dichloro-N,N-diethylpurine-9-sulfonamide?
The InChIKey is KALIGOCEHBEGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N5O2S/c1-3-15(4-2)19(17,18)16-5-12-6-7(10)13-9(11)14-8(6)16/h5H,3-4H2,1-2H3.
What are the key properties of 2,6-dichloro-N,N-diethylpurine-9-sulfonamide?
2,6-dichloro-N,N-diethylpurine-9-sulfonamide has a molecular weight of 324.19 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N,N-diethylpurine-9-sulfonamide is sourced from PubChem (CID 155590172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).