2-(tetrazol-1-yl)ethanesulfonyl fluoride

C3H5FN4O2S — CID 165459817

IUPAC2-(tetrazol-1-yl)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCn1cnnn1
InChIInChI=1S/C3H5FN4O2S/c4-11(9,10)2-1-8-3-5-6-7-8/h3H,1-2H2
InChIKeyMIPWDPFTYSAFQS-UHFFFAOYSA-N
MW180.16 g/mol
LogP-1.03
Rot. Bonds3

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

2-(tetrazol-1-yl)ethanesulfonyl fluoride (PubChem CID 165459817) has the molecular formula C3H5FN4O2S and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(tetrazol-1-yl)ethanesulfonyl fluoride
PubChem CID165459817
Molecular FormulaC3H5FN4O2S
Molecular Weight180.16 g/mol
Exact Mass180.01
IUPAC Name2-(tetrazol-1-yl)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCn1cnnn1
InChIInChI=1S/C3H5FN4O2S/c4-11(9,10)2-1-8-3-5-6-7-8/h3H,1-2H2
InChIKeyMIPWDPFTYSAFQS-UHFFFAOYSA-N
XLogP-1.03
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-1.03
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 fluoride?
The IUPAC name of 2-(tetrazol-1-yl)ethanesulfonyl fluoride (CID 165459817) is 2-(tetrazol-1-yl)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(tetrazol-1-yl)ethanesulfonyl fluoride?
The canonical SMILES for 2-(tetrazol-1-yl)ethanesulfonyl fluoride is O=S(=O)(F)CCn1cnnn1.
What is the InChIKey of 2-(tetrazol-1-yl)ethanesulfonyl fluoride?
The InChIKey is MIPWDPFTYSAFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FN4O2S/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 fluoride?
2-(tetrazol-1-yl)ethanesulfonyl fluoride has a molecular weight of 180.16 g/mol, XLogP of -1.03, 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 fluoride is sourced from PubChem (CID 165459817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).