1-(tetrazol-1-yl)ethanesulfonamide

C3H7N5O2S — CID 18935385

IUPAC1-(tetrazol-1-yl)ethanesulfonamide
SMILESCC(n1cnnn1)S(N)(=O)=O
InChIInChI=1S/C3H7N5O2S/c1-3(11(4,9)10)8-2-5-6-7-8/h2-3H,1H3,(H2,4,9,10)
InChIKeyVODBQZFPYPOOJP-UHFFFAOYSA-N
MW177.19 g/mol
LogP-1.52
Rot. Bonds2

About 1-(tetrazol-1-yl)ethanesulfonamide

1-(tetrazol-1-yl)ethanesulfonamide (PubChem CID 18935385) has the molecular formula C3H7N5O2S and a molecular weight of 177.19 g/mol. Its IUPAC name is 1-(tetrazol-1-yl)ethanesulfonamide.

Molecular Properties

Compound Name1-(tetrazol-1-yl)ethanesulfonamide
PubChem CID18935385
Molecular FormulaC3H7N5O2S
Molecular Weight177.19 g/mol
Exact Mass177.03
IUPAC Name1-(tetrazol-1-yl)ethanesulfonamide
SMILESCC(n1cnnn1)S(N)(=O)=O
InChIInChI=1S/C3H7N5O2S/c1-3(11(4,9)10)8-2-5-6-7-8/h2-3H,1H3,(H2,4,9,10)
InChIKeyVODBQZFPYPOOJP-UHFFFAOYSA-N
XLogP-1.52
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 5-1.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(tetrazol-1-yl)ethanesulfonamide?
The IUPAC name of 1-(tetrazol-1-yl)ethanesulfonamide (CID 18935385) is 1-(tetrazol-1-yl)ethanesulfonamide.
What is the SMILES notation for 1-(tetrazol-1-yl)ethanesulfonamide?
The canonical SMILES for 1-(tetrazol-1-yl)ethanesulfonamide is CC(n1cnnn1)S(N)(=O)=O.
What is the InChIKey of 1-(tetrazol-1-yl)ethanesulfonamide?
The InChIKey is VODBQZFPYPOOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N5O2S/c1-3(11(4,9)10)8-2-5-6-7-8/h2-3H,1H3,(H2,4,9,10).
What are the key properties of 1-(tetrazol-1-yl)ethanesulfonamide?
1-(tetrazol-1-yl)ethanesulfonamide has a molecular weight of 177.19 g/mol, XLogP of -1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tetrazol-1-yl)ethanesulfonamide is sourced from PubChem (CID 18935385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).