3-pyrimidin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide

C11H13N7O2S — CID 134823485

IUPAC3-pyrimidin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ncccn2)c1C1NNNN1
InChIInChI=1S/C11H13N7O2S/c12-21(19,20)8-4-1-3-7(10-13-5-2-6-14-10)9(8)11-15-17-18-16-11/h1-6,11,15-18H,(H2,12,19,20)
InChIKeyBTBZFONOGNVYCA-UHFFFAOYSA-N
MW307.34 g/mol
LogP-1.09
Rot. Bonds3

About 3-pyrimidin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide

3-pyrimidin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 134823485) has the molecular formula C11H13N7O2S and a molecular weight of 307.34 g/mol. Its IUPAC name is 3-pyrimidin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-pyrimidin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID134823485
Molecular FormulaC11H13N7O2S
Molecular Weight307.34 g/mol
Exact Mass307.09
IUPAC Name3-pyrimidin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ncccn2)c1C1NNNN1
InChIInChI=1S/C11H13N7O2S/c12-21(19,20)8-4-1-3-7(10-13-5-2-6-14-10)9(8)11-15-17-18-16-11/h1-6,11,15-18H,(H2,12,19,20)
InChIKeyBTBZFONOGNVYCA-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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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-pyrimidin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide (CID 134823485) is 3-pyrimidin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-pyrimidin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-pyrimidin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ncccn2)c1C1NNNN1.
What is the InChIKey of 3-pyrimidin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is BTBZFONOGNVYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O2S/c12-21(19,20)8-4-1-3-7(10-13-5-2-6-14-10)9(8)11-15-17-18-16-11/h1-6,11,15-18H,(H2,12,19,20).
What are the key properties of 3-pyrimidin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide?
3-pyrimidin-2-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-pyrimidin-2-yl-2-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134823485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).