2-(triazol-1-yl)ethanesulfonyl chloride

C4H6ClN3O2S — CID 130116342

IUPAC2-(triazol-1-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCn1ccnn1
InChIInChI=1S/C4H6ClN3O2S/c5-11(9,10)4-3-8-2-1-6-7-8/h1-2H,3-4H2
InChIKeyKYRMTPYUXXZTJM-UHFFFAOYSA-N
MW195.63 g/mol
LogP-0.15
Rot. Bonds3

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

2-(triazol-1-yl)ethanesulfonyl chloride (PubChem CID 130116342) has the molecular formula C4H6ClN3O2S and a molecular weight of 195.63 g/mol. Its IUPAC name is 2-(triazol-1-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(triazol-1-yl)ethanesulfonyl chloride
PubChem CID130116342
Molecular FormulaC4H6ClN3O2S
Molecular Weight195.63 g/mol
Exact Mass194.99
IUPAC Name2-(triazol-1-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCn1ccnn1
InChIInChI=1S/C4H6ClN3O2S/c5-11(9,10)4-3-8-2-1-6-7-8/h1-2H,3-4H2
InChIKeyKYRMTPYUXXZTJM-UHFFFAOYSA-N
XLogP-0.15
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.63
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(triazol-1-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(triazol-1-yl)ethanesulfonyl chloride (CID 130116342) is 2-(triazol-1-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(triazol-1-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(triazol-1-yl)ethanesulfonyl chloride is O=S(=O)(Cl)CCn1ccnn1.
What is the InChIKey of 2-(triazol-1-yl)ethanesulfonyl chloride?
The InChIKey is KYRMTPYUXXZTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN3O2S/c5-11(9,10)4-3-8-2-1-6-7-8/h1-2H,3-4H2.
What are the key properties of 2-(triazol-1-yl)ethanesulfonyl chloride?
2-(triazol-1-yl)ethanesulfonyl chloride has a molecular weight of 195.63 g/mol, XLogP of -0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazol-1-yl)ethanesulfonyl chloride is sourced from PubChem (CID 130116342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).