4-(tetrazol-1-yl)benzenesulfonamide

C7H7N5O2S — CID 1239248

IUPAC4-(tetrazol-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C7H7N5O2S/c8-15(13,14)7-3-1-6(2-4-7)12-5-9-10-11-12/h1-5H,(H2,8,13,14)
InChIKeyNUCIGEAEJHYEGD-UHFFFAOYSA-N
MW225.23 g/mol
LogP-0.69
Rot. Bonds2

About 4-(tetrazol-1-yl)benzenesulfonamide

4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 1239248) has the molecular formula C7H7N5O2S and a molecular weight of 225.23 g/mol. Its IUPAC name is 4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID1239248
Molecular FormulaC7H7N5O2S
Molecular Weight225.23 g/mol
Exact Mass225.03
IUPAC Name4-(tetrazol-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C7H7N5O2S/c8-15(13,14)7-3-1-6(2-4-7)12-5-9-10-11-12/h1-5H,(H2,8,13,14)
InChIKeyNUCIGEAEJHYEGD-UHFFFAOYSA-N
XLogP-0.69
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of 4-(tetrazol-1-yl)benzenesulfonamide (CID 1239248) is 4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(tetrazol-1-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is NUCIGEAEJHYEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2S/c8-15(13,14)7-3-1-6(2-4-7)12-5-9-10-11-12/h1-5H,(H2,8,13,14).
What are the key properties of 4-(tetrazol-1-yl)benzenesulfonamide?
4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 225.23 g/mol, XLogP of -0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 1239248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).