2-(2-ethyltetrazol-5-yl)ethanesulfonyl chloride

C5H9ClN4O2S — CID 84789843

IUPAC2-(2-ethyltetrazol-5-yl)ethanesulfonyl chloride
SMILESCCn1nnc(CCS(=O)(=O)Cl)n1
InChIInChI=1S/C5H9ClN4O2S/c1-2-10-8-5(7-9-10)3-4-13(6,11)12/h2-4H2,1H3
InChIKeyMDDUYDZOKAXPBJ-UHFFFAOYSA-N
MW224.67 g/mol
LogP-0.20
Rot. Bonds4

About 2-(2-ethyltetrazol-5-yl)ethanesulfonyl chloride

2-(2-ethyltetrazol-5-yl)ethanesulfonyl chloride (PubChem CID 84789843) has the molecular formula C5H9ClN4O2S and a molecular weight of 224.67 g/mol. Its IUPAC name is 2-(2-ethyltetrazol-5-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(2-ethyltetrazol-5-yl)ethanesulfonyl chloride
PubChem CID84789843
Molecular FormulaC5H9ClN4O2S
Molecular Weight224.67 g/mol
Exact Mass224.01
IUPAC Name2-(2-ethyltetrazol-5-yl)ethanesulfonyl chloride
SMILESCCn1nnc(CCS(=O)(=O)Cl)n1
InChIInChI=1S/C5H9ClN4O2S/c1-2-10-8-5(7-9-10)3-4-13(6,11)12/h2-4H2,1H3
InChIKeyMDDUYDZOKAXPBJ-UHFFFAOYSA-N
XLogP-0.20
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyltetrazol-5-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(2-ethyltetrazol-5-yl)ethanesulfonyl chloride (CID 84789843) is 2-(2-ethyltetrazol-5-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(2-ethyltetrazol-5-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(2-ethyltetrazol-5-yl)ethanesulfonyl chloride is CCn1nnc(CCS(=O)(=O)Cl)n1.
What is the InChIKey of 2-(2-ethyltetrazol-5-yl)ethanesulfonyl chloride?
The InChIKey is MDDUYDZOKAXPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClN4O2S/c1-2-10-8-5(7-9-10)3-4-13(6,11)12/h2-4H2,1H3.
What are the key properties of 2-(2-ethyltetrazol-5-yl)ethanesulfonyl chloride?
2-(2-ethyltetrazol-5-yl)ethanesulfonyl chloride has a molecular weight of 224.67 g/mol, XLogP of -0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyltetrazol-5-yl)ethanesulfonyl chloride is sourced from PubChem (CID 84789843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).