3-(2,6-diamino-4-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide

C12H16N8O2S — CID 134823540

IUPAC3-(2,6-diamino-4-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNc1cc(-c2cccc(S(N)(=O)=O)c2C2NNNN2)cc(N)n1
InChIInChI=1S/C12H16N8O2S/c13-9-4-6(5-10(14)16-9)7-2-1-3-8(23(15,21)22)11(7)12-17-19-20-18-12/h1-5,12,17-20H,(H4,13,14,16)(H2,15,21,22)
InChIKeyWBICMFZZICPUDB-UHFFFAOYSA-N
MW336.38 g/mol
LogP-1.32
Rot. Bonds3

About 3-(2,6-diamino-4-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide

3-(2,6-diamino-4-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 134823540) has the molecular formula C12H16N8O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 3-(2,6-diamino-4-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2,6-diamino-4-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID134823540
Molecular FormulaC12H16N8O2S
Molecular Weight336.38 g/mol
Exact Mass336.11
IUPAC Name3-(2,6-diamino-4-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNc1cc(-c2cccc(S(N)(=O)=O)c2C2NNNN2)cc(N)n1
InChIInChI=1S/C12H16N8O2S/c13-9-4-6(5-10(14)16-9)7-2-1-3-8(23(15,21)22)11(7)12-17-19-20-18-12/h1-5,12,17-20H,(H4,13,14,16)(H2,15,21,22)
InChIKeyWBICMFZZICPUDB-UHFFFAOYSA-N
XLogP-1.32
TPSA173.21 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.38
LogP ≤ 5-1.32
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diamino-4-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-(2,6-diamino-4-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide (CID 134823540) is 3-(2,6-diamino-4-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(2,6-diamino-4-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(2,6-diamino-4-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide is Nc1cc(-c2cccc(S(N)(=O)=O)c2C2NNNN2)cc(N)n1.
What is the InChIKey of 3-(2,6-diamino-4-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is WBICMFZZICPUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N8O2S/c13-9-4-6(5-10(14)16-9)7-2-1-3-8(23(15,21)22)11(7)12-17-19-20-18-12/h1-5,12,17-20H,(H4,13,14,16)(H2,15,21,22).
What are the key properties of 3-(2,6-diamino-4-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
3-(2,6-diamino-4-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide has a molecular weight of 336.38 g/mol, XLogP of -1.32, 3 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diamino-4-pyridinyl)-2-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134823540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).