3-(2H-tetrazol-5-yl)benzenesulfonyl chloride

C7H5ClN4O2S — CID 20774804

IUPAC3-(2H-tetrazol-5-yl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C7H5ClN4O2S/c8-15(13,14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKeyVKJSATBJGQJEET-UHFFFAOYSA-N
MW244.66 g/mol
LogP0.79
Rot. Bonds2

About 3-(2H-tetrazol-5-yl)benzenesulfonyl chloride

3-(2H-tetrazol-5-yl)benzenesulfonyl chloride (PubChem CID 20774804) has the molecular formula C7H5ClN4O2S and a molecular weight of 244.66 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-(2H-tetrazol-5-yl)benzenesulfonyl chloride
PubChem CID20774804
Molecular FormulaC7H5ClN4O2S
Molecular Weight244.66 g/mol
Exact Mass243.98
IUPAC Name3-(2H-tetrazol-5-yl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C7H5ClN4O2S/c8-15(13,14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKeyVKJSATBJGQJEET-UHFFFAOYSA-N
XLogP0.79
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.66
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-yl)benzenesulfonyl chloride?
The IUPAC name of 3-(2H-tetrazol-5-yl)benzenesulfonyl chloride (CID 20774804) is 3-(2H-tetrazol-5-yl)benzenesulfonyl chloride.
What is the SMILES notation for 3-(2H-tetrazol-5-yl)benzenesulfonyl chloride?
The canonical SMILES for 3-(2H-tetrazol-5-yl)benzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 3-(2H-tetrazol-5-yl)benzenesulfonyl chloride?
The InChIKey is VKJSATBJGQJEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O2S/c8-15(13,14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12).
What are the key properties of 3-(2H-tetrazol-5-yl)benzenesulfonyl chloride?
3-(2H-tetrazol-5-yl)benzenesulfonyl chloride has a molecular weight of 244.66 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-yl)benzenesulfonyl chloride is sourced from PubChem (CID 20774804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).