5-(benzenesulfonyl)-2H-tetrazole

C7H6N4O2S — CID 15323576

IUPAC5-(benzenesulfonyl)-2H-tetrazole
SMILESO=S(=O)(c1ccccc1)c1nn[nH]n1
InChIInChI=1S/C7H6N4O2S/c12-14(13,7-8-10-11-9-7)6-4-2-1-3-5-6/h1-5H,(H,8,9,10,11)
InChIKeyMAVRXYRWQGVPHV-UHFFFAOYSA-N
MW210.22 g/mol
LogP0.03
Rot. Bonds2

About 5-(benzenesulfonyl)-2H-tetrazole

5-(benzenesulfonyl)-2H-tetrazole (PubChem CID 15323576) has the molecular formula C7H6N4O2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2H-tetrazole
PubChem CID15323576
Molecular FormulaC7H6N4O2S
Molecular Weight210.22 g/mol
Exact Mass210.02
IUPAC Name5-(benzenesulfonyl)-2H-tetrazole
SMILESO=S(=O)(c1ccccc1)c1nn[nH]n1
InChIInChI=1S/C7H6N4O2S/c12-14(13,7-8-10-11-9-7)6-4-2-1-3-5-6/h1-5H,(H,8,9,10,11)
InChIKeyMAVRXYRWQGVPHV-UHFFFAOYSA-N
XLogP0.03
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(benzenesulfonyl)-2H-tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2H-tetrazole?
The IUPAC name of 5-(benzenesulfonyl)-2H-tetrazole (CID 15323576) is 5-(benzenesulfonyl)-2H-tetrazole.
What is the SMILES notation for 5-(benzenesulfonyl)-2H-tetrazole?
The canonical SMILES for 5-(benzenesulfonyl)-2H-tetrazole is O=S(=O)(c1ccccc1)c1nn[nH]n1.
What is the InChIKey of 5-(benzenesulfonyl)-2H-tetrazole?
The InChIKey is MAVRXYRWQGVPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2S/c12-14(13,7-8-10-11-9-7)6-4-2-1-3-5-6/h1-5H,(H,8,9,10,11).
What are the key properties of 5-(benzenesulfonyl)-2H-tetrazole?
5-(benzenesulfonyl)-2H-tetrazole has a molecular weight of 210.22 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2H-tetrazole is sourced from PubChem (CID 15323576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).