2-(tetrazol-1-yl)ethanesulfonyl chloride

C3H5ClN4O2S — CID 103098261

IUPAC2-(tetrazol-1-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCn1cnnn1
InChIInChI=1S/C3H5ClN4O2S/c4-11(9,10)2-1-8-3-5-6-7-8/h3H,1-2H2
InChIKeyZQGCOASDPPIOQJ-UHFFFAOYSA-N
MW196.62 g/mol
LogP-0.76
Rot. Bonds3

About 2-(tetrazol-1-yl)ethanesulfonyl chloride

2-(tetrazol-1-yl)ethanesulfonyl chloride (PubChem CID 103098261) has the molecular formula C3H5ClN4O2S and a molecular weight of 196.62 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(tetrazol-1-yl)ethanesulfonyl chloride
PubChem CID103098261
Molecular FormulaC3H5ClN4O2S
Molecular Weight196.62 g/mol
Exact Mass195.98
IUPAC Name2-(tetrazol-1-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCn1cnnn1
InChIInChI=1S/C3H5ClN4O2S/c4-11(9,10)2-1-8-3-5-6-7-8/h3H,1-2H2
InChIKeyZQGCOASDPPIOQJ-UHFFFAOYSA-N
XLogP-0.76
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.62
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(tetrazol-1-yl)ethanesulfonyl chloride (CID 103098261) is 2-(tetrazol-1-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(tetrazol-1-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(tetrazol-1-yl)ethanesulfonyl chloride is O=S(=O)(Cl)CCn1cnnn1.
What is the InChIKey of 2-(tetrazol-1-yl)ethanesulfonyl chloride?
The InChIKey is ZQGCOASDPPIOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClN4O2S/c4-11(9,10)2-1-8-3-5-6-7-8/h3H,1-2H2.
What are the key properties of 2-(tetrazol-1-yl)ethanesulfonyl chloride?
2-(tetrazol-1-yl)ethanesulfonyl chloride has a molecular weight of 196.62 g/mol, XLogP of -0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)ethanesulfonyl chloride is sourced from PubChem (CID 103098261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).