2-(2H-tetrazol-5-ylmethyl)benzenesulfonamide

C8H9N5O2S — CID 67935246

IUPAC2-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1Cc1nn[nH]n1
InChIInChI=1S/C8H9N5O2S/c9-16(14,15)7-4-2-1-3-6(7)5-8-10-12-13-11-8/h1-4H,5H2,(H2,9,14,15)(H,10,11,12,13)
InChIKeyLZHQRQZOPRICEC-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.56
Rot. Bonds3

About 2-(2H-tetrazol-5-ylmethyl)benzenesulfonamide

2-(2H-tetrazol-5-ylmethyl)benzenesulfonamide (PubChem CID 67935246) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
PubChem CID67935246
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Name2-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1Cc1nn[nH]n1
InChIInChI=1S/C8H9N5O2S/c9-16(14,15)7-4-2-1-3-6(7)5-8-10-12-13-11-8/h1-4H,5H2,(H2,9,14,15)(H,10,11,12,13)
InChIKeyLZHQRQZOPRICEC-UHFFFAOYSA-N
XLogP-0.56
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-(2H-tetrazol-5-ylmethyl)benzenesulfonamide (CID 67935246) is 2-(2H-tetrazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-(2H-tetrazol-5-ylmethyl)benzenesulfonamide is NS(=O)(=O)c1ccccc1Cc1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is LZHQRQZOPRICEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c9-16(14,15)7-4-2-1-3-6(7)5-8-10-12-13-11-8/h1-4H,5H2,(H2,9,14,15)(H,10,11,12,13).
What are the key properties of 2-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
2-(2H-tetrazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 239.26 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 67935246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).