4-(2H-tetrazol-5-yl)benzenesulfonyl chloride

C7H5ClN4O2S — CID 52911271

IUPAC4-(2H-tetrazol-5-yl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C7H5ClN4O2S/c8-15(13,14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKeyHXFGIDWWUVWVHT-UHFFFAOYSA-N
MW244.66 g/mol
LogP0.79
Rot. Bonds2

About 4-(2H-tetrazol-5-yl)benzenesulfonyl chloride

4-(2H-tetrazol-5-yl)benzenesulfonyl chloride (PubChem CID 52911271) has the molecular formula C7H5ClN4O2S and a molecular weight of 244.66 g/mol. Its IUPAC name is 4-(2H-tetrazol-5-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2H-tetrazol-5-yl)benzenesulfonyl chloride
PubChem CID52911271
Molecular FormulaC7H5ClN4O2S
Molecular Weight244.66 g/mol
Exact Mass243.98
IUPAC Name4-(2H-tetrazol-5-yl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C7H5ClN4O2S/c8-15(13,14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKeyHXFGIDWWUVWVHT-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 4-(2H-tetrazol-5-yl)benzenesulfonyl chloride?
The IUPAC name of 4-(2H-tetrazol-5-yl)benzenesulfonyl chloride (CID 52911271) is 4-(2H-tetrazol-5-yl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(2H-tetrazol-5-yl)benzenesulfonyl chloride?
The canonical SMILES for 4-(2H-tetrazol-5-yl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 4-(2H-tetrazol-5-yl)benzenesulfonyl chloride?
The InChIKey is HXFGIDWWUVWVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O2S/c8-15(13,14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12).
What are the key properties of 4-(2H-tetrazol-5-yl)benzenesulfonyl chloride?
4-(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 4-(2H-tetrazol-5-yl)benzenesulfonyl chloride is sourced from PubChem (CID 52911271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).