4-(triazol-2-yl)benzenesulfonyl chloride

C8H6ClN3O2S — CID 55279432

IUPAC4-(triazol-2-yl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-n2nccn2)cc1
InChIInChI=1S/C8H6ClN3O2S/c9-15(13,14)8-3-1-7(2-4-8)12-10-5-6-11-12/h1-6H
InChIKeyNJJPEXICSUBIBZ-UHFFFAOYSA-N
MW243.68 g/mol
LogP1.19
Rot. Bonds2

About 4-(triazol-2-yl)benzenesulfonyl chloride

4-(triazol-2-yl)benzenesulfonyl chloride (PubChem CID 55279432) has the molecular formula C8H6ClN3O2S and a molecular weight of 243.68 g/mol. Its IUPAC name is 4-(triazol-2-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(triazol-2-yl)benzenesulfonyl chloride
PubChem CID55279432
Molecular FormulaC8H6ClN3O2S
Molecular Weight243.68 g/mol
Exact Mass242.99
IUPAC Name4-(triazol-2-yl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-n2nccn2)cc1
InChIInChI=1S/C8H6ClN3O2S/c9-15(13,14)8-3-1-7(2-4-8)12-10-5-6-11-12/h1-6H
InChIKeyNJJPEXICSUBIBZ-UHFFFAOYSA-N
XLogP1.19
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.68
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(triazol-2-yl)benzenesulfonyl chloride?
The IUPAC name of 4-(triazol-2-yl)benzenesulfonyl chloride (CID 55279432) is 4-(triazol-2-yl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(triazol-2-yl)benzenesulfonyl chloride?
The canonical SMILES for 4-(triazol-2-yl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(-n2nccn2)cc1.
What is the InChIKey of 4-(triazol-2-yl)benzenesulfonyl chloride?
The InChIKey is NJJPEXICSUBIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2S/c9-15(13,14)8-3-1-7(2-4-8)12-10-5-6-11-12/h1-6H.
What are the key properties of 4-(triazol-2-yl)benzenesulfonyl chloride?
4-(triazol-2-yl)benzenesulfonyl chloride has a molecular weight of 243.68 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(triazol-2-yl)benzenesulfonyl chloride is sourced from PubChem (CID 55279432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).