7H-purine-6-sulfonamide

C5H5N5O2S — CID 5370843

IUPAC7H-purine-6-sulfonamide
SMILESNS(=O)(=O)c1ncnc2nc[nH]c12
InChIInChI=1S/C5H5N5O2S/c6-13(11,12)5-3-4(8-1-7-3)9-2-10-5/h1-2H,(H2,6,11,12)(H,7,8,9,10)
InChIKeyPCTGSUQZDBBLHN-UHFFFAOYSA-N
MW199.19 g/mol
LogP-1.00
Rot. Bonds1

About 7H-purine-6-sulfonamide

7H-purine-6-sulfonamide (PubChem CID 5370843) has the molecular formula C5H5N5O2S and a molecular weight of 199.19 g/mol. Its IUPAC name is 7H-purine-6-sulfonamide.

Molecular Properties

Compound Name7H-purine-6-sulfonamide
PubChem CID5370843
Molecular FormulaC5H5N5O2S
Molecular Weight199.19 g/mol
Exact Mass199.02
IUPAC Name7H-purine-6-sulfonamide
SMILESNS(=O)(=O)c1ncnc2nc[nH]c12
InChIInChI=1S/C5H5N5O2S/c6-13(11,12)5-3-4(8-1-7-3)9-2-10-5/h1-2H,(H2,6,11,12)(H,7,8,9,10)
InChIKeyPCTGSUQZDBBLHN-UHFFFAOYSA-N
XLogP-1.00
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7H-purine-6-sulfonamide?
The IUPAC name of 7H-purine-6-sulfonamide (CID 5370843) is 7H-purine-6-sulfonamide.
What is the SMILES notation for 7H-purine-6-sulfonamide?
The canonical SMILES for 7H-purine-6-sulfonamide is NS(=O)(=O)c1ncnc2nc[nH]c12.
What is the InChIKey of 7H-purine-6-sulfonamide?
The InChIKey is PCTGSUQZDBBLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O2S/c6-13(11,12)5-3-4(8-1-7-3)9-2-10-5/h1-2H,(H2,6,11,12)(H,7,8,9,10).
What are the key properties of 7H-purine-6-sulfonamide?
7H-purine-6-sulfonamide has a molecular weight of 199.19 g/mol, XLogP of -1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-purine-6-sulfonamide is sourced from PubChem (CID 5370843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).