3-pyridazin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide

C11H13N7O2S — CID 134823489

IUPAC3-pyridazin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccnnc2)c1C1NNNN1
InChIInChI=1S/C11H13N7O2S/c12-21(19,20)9-3-1-2-8(7-4-5-13-14-6-7)10(9)11-15-17-18-16-11/h1-6,11,15-18H,(H2,12,19,20)
InChIKeySYVAELQLIDIVRT-UHFFFAOYSA-N
MW307.34 g/mol
LogP-1.09
Rot. Bonds3

About 3-pyridazin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide

3-pyridazin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 134823489) has the molecular formula C11H13N7O2S and a molecular weight of 307.34 g/mol. Its IUPAC name is 3-pyridazin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-pyridazin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID134823489
Molecular FormulaC11H13N7O2S
Molecular Weight307.34 g/mol
Exact Mass307.09
IUPAC Name3-pyridazin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccnnc2)c1C1NNNN1
InChIInChI=1S/C11H13N7O2S/c12-21(19,20)9-3-1-2-8(7-4-5-13-14-6-7)10(9)11-15-17-18-16-11/h1-6,11,15-18H,(H2,12,19,20)
InChIKeySYVAELQLIDIVRT-UHFFFAOYSA-N
XLogP-1.09
TPSA134.06 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 5-1.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-(dimethylsulfamoyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide
CID 134823499
3-(4-pyrazolidin-3-ylphenyl)-2-(tetrazolidin-5-yl)benzenesulfonamide
CID 134823491
3-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide
CID 134823493
3-(2-amino-1,3-benzothiazol-4-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
CID 134823541
3-(2-methylthiophen-3-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
CID 134823533
2-pyridazin-4-ylphenol
CID 139536725
3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 171344422
2-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide
CID 70538320
4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole
CID 104671046
2-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-3-phenylbenzenesulfonamide
CID 151442310
3-imidazo[1,2-a]pyrimidin-3-yl-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 134823685
2-(2H-tetrazol-5-yl)-3-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 122687798

Frequently Asked Questions

What is the IUPAC name of 3-pyridazin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-pyridazin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide (CID 134823489) is 3-pyridazin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-pyridazin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-pyridazin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccnnc2)c1C1NNNN1.
What is the InChIKey of 3-pyridazin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is SYVAELQLIDIVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O2S/c12-21(19,20)9-3-1-2-8(7-4-5-13-14-6-7)10(9)11-15-17-18-16-11/h1-6,11,15-18H,(H2,12,19,20).
What are the key properties of 3-pyridazin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide?
3-pyridazin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide has a molecular weight of 307.34 g/mol, XLogP of -1.09, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridazin-4-yl-2-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134823489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).