3-(tetrazol-1-yl)benzenesulfonamide

C7H7N5O2S — CID 2316579

IUPAC3-(tetrazol-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C7H7N5O2S/c8-15(13,14)7-3-1-2-6(4-7)12-5-9-10-11-12/h1-5H,(H2,8,13,14)
InChIKeyKKCJRXVQNYBUFW-UHFFFAOYSA-N
MW225.23 g/mol
LogP-0.69
Rot. Bonds2

About 3-(tetrazol-1-yl)benzenesulfonamide

3-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 2316579) has the molecular formula C7H7N5O2S and a molecular weight of 225.23 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(tetrazol-1-yl)benzenesulfonamide
PubChem CID2316579
Molecular FormulaC7H7N5O2S
Molecular Weight225.23 g/mol
Exact Mass225.03
IUPAC Name3-(tetrazol-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C7H7N5O2S/c8-15(13,14)7-3-1-2-6(4-7)12-5-9-10-11-12/h1-5H,(H2,8,13,14)
InChIKeyKKCJRXVQNYBUFW-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

Analyze 3-(tetrazol-1-yl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-Cyclohexyl-N-methyl-4-tetrazol-1-yl-benzenesulfonamide
CID 644481
N,N-Dicyclohexyl-4-tetrazol-1-yl-benzenesulfonamide
CID 650971
N-(3-chlorophenyl)-3-(tetrazol-1-yl)benzenesulfonamide
CID 854954
N-Cyclopentyl-4-tetrazol-1-yl-benzenesulfonamide
CID 861385
2-Methyl-1-(4-tetrazol-1-yl-benzenesulfonyl)-piperidine
CID 3173758
1-[4-(Tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 4278096
N-[3-(1H-tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7708268
2-fluoro-N-[3-(1H-tetrazol-1-yl)phenyl]benzenesulfonamide
CID 7708707
4-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8034485
4-(1H-1,2,3,4-tetrazol-1-yl)benzene-1-sulfonamide
CID 1239248
2-fluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8015656
3-fluoro-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8189726

Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of 3-(tetrazol-1-yl)benzenesulfonamide (CID 2316579) is 3-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 3-(tetrazol-1-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 3-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is KKCJRXVQNYBUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2S/c8-15(13,14)7-3-1-2-6(4-7)12-5-9-10-11-12/h1-5H,(H2,8,13,14).
What are the key properties of 3-(tetrazol-1-yl)benzenesulfonamide?
3-(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 3-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 2316579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).