2,1,3-benzothiadiazole-4-sulfonyl chloride

C6H3ClN2O2S2 — CID 2735459

IUPAC2,1,3-benzothiadiazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2nsnc12
InChIInChI=1S/C6H3ClN2O2S2/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H
InChIKeyCXAICGCTHOWKPP-UHFFFAOYSA-N
MW234.69 g/mol
LogP1.62
Rot. Bonds1

About 2,1,3-benzothiadiazole-4-sulfonyl chloride

2,1,3-benzothiadiazole-4-sulfonyl chloride (PubChem CID 2735459) has the molecular formula C6H3ClN2O2S2 and a molecular weight of 234.69 g/mol. Its IUPAC name is 2,1,3-benzothiadiazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2,1,3-benzothiadiazole-4-sulfonyl chloride
PubChem CID2735459
Molecular FormulaC6H3ClN2O2S2
Molecular Weight234.69 g/mol
Exact Mass233.93
IUPAC Name2,1,3-benzothiadiazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2nsnc12
InChIInChI=1S/C6H3ClN2O2S2/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H
InChIKeyCXAICGCTHOWKPP-UHFFFAOYSA-N
XLogP1.62
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzothiadiazole-4-sulfonyl chloride?
The IUPAC name of 2,1,3-benzothiadiazole-4-sulfonyl chloride (CID 2735459) is 2,1,3-benzothiadiazole-4-sulfonyl chloride.
What is the SMILES notation for 2,1,3-benzothiadiazole-4-sulfonyl chloride?
The canonical SMILES for 2,1,3-benzothiadiazole-4-sulfonyl chloride is O=S(=O)(Cl)c1cccc2nsnc12.
What is the InChIKey of 2,1,3-benzothiadiazole-4-sulfonyl chloride?
The InChIKey is CXAICGCTHOWKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2O2S2/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H.
What are the key properties of 2,1,3-benzothiadiazole-4-sulfonyl chloride?
2,1,3-benzothiadiazole-4-sulfonyl chloride has a molecular weight of 234.69 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzothiadiazole-4-sulfonyl chloride is sourced from PubChem (CID 2735459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).