2H-triazol-4-ylmethanesulfonyl chloride

C3H4ClN3O2S — CID 84732413

IUPAC2H-triazol-4-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cn[nH]n1
InChIInChI=1S/C3H4ClN3O2S/c4-10(8,9)2-3-1-5-7-6-3/h1H,2H2,(H,5,6,7)
InChIKeyYJOADKYCWJHTOS-UHFFFAOYSA-N
MW181.60 g/mol
LogP-0.13
Rot. Bonds2

About 2H-triazol-4-ylmethanesulfonyl chloride

2H-triazol-4-ylmethanesulfonyl chloride (PubChem CID 84732413) has the molecular formula C3H4ClN3O2S and a molecular weight of 181.60 g/mol. Its IUPAC name is 2H-triazol-4-ylmethanesulfonyl chloride.

Molecular Properties

Compound Name2H-triazol-4-ylmethanesulfonyl chloride
PubChem CID84732413
Molecular FormulaC3H4ClN3O2S
Molecular Weight181.60 g/mol
Exact Mass180.97
IUPAC Name2H-triazol-4-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cn[nH]n1
InChIInChI=1S/C3H4ClN3O2S/c4-10(8,9)2-3-1-5-7-6-3/h1H,2H2,(H,5,6,7)
InChIKeyYJOADKYCWJHTOS-UHFFFAOYSA-N
XLogP-0.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.60
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2H-triazol-4-ylmethanesulfonyl chloride?
The IUPAC name of 2H-triazol-4-ylmethanesulfonyl chloride (CID 84732413) is 2H-triazol-4-ylmethanesulfonyl chloride.
What is the SMILES notation for 2H-triazol-4-ylmethanesulfonyl chloride?
The canonical SMILES for 2H-triazol-4-ylmethanesulfonyl chloride is O=S(=O)(Cl)Cc1cn[nH]n1.
What is the InChIKey of 2H-triazol-4-ylmethanesulfonyl chloride?
The InChIKey is YJOADKYCWJHTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClN3O2S/c4-10(8,9)2-3-1-5-7-6-3/h1H,2H2,(H,5,6,7).
What are the key properties of 2H-triazol-4-ylmethanesulfonyl chloride?
2H-triazol-4-ylmethanesulfonyl chloride has a molecular weight of 181.60 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-triazol-4-ylmethanesulfonyl chloride is sourced from PubChem (CID 84732413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).