5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride;hydrochloride

C7H6Cl2N2O2S2 — CID 45074817

IUPAC5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride;hydrochloride
SMILESCc1ccc2nsnc2c1S(=O)(=O)Cl.Cl
InChIInChI=1S/C7H5ClN2O2S2.ClH/c1-4-2-3-5-6(10-13-9-5)7(4)14(8,11)12;/h2-3H,1H3;1H
InChIKeyMPTNWEHZPWASLC-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.35
Rot. Bonds1

About 5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride;hydrochloride

5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride;hydrochloride (PubChem CID 45074817) has the molecular formula C7H6Cl2N2O2S2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride;hydrochloride.

Molecular Properties

Compound Name5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride;hydrochloride
PubChem CID45074817
Molecular FormulaC7H6Cl2N2O2S2
Molecular Weight285.18 g/mol
Exact Mass283.92
IUPAC Name5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride;hydrochloride
SMILESCc1ccc2nsnc2c1S(=O)(=O)Cl.Cl
InChIInChI=1S/C7H5ClN2O2S2.ClH/c1-4-2-3-5-6(10-13-9-5)7(4)14(8,11)12;/h2-3H,1H3;1H
InChIKeyMPTNWEHZPWASLC-UHFFFAOYSA-N
XLogP2.35
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride;hydrochloride?
The IUPAC name of 5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride;hydrochloride (CID 45074817) is 5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride;hydrochloride.
What is the SMILES notation for 5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride;hydrochloride?
The canonical SMILES for 5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride;hydrochloride is Cc1ccc2nsnc2c1S(=O)(=O)Cl.Cl.
What is the InChIKey of 5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride;hydrochloride?
The InChIKey is MPTNWEHZPWASLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2S2.ClH/c1-4-2-3-5-6(10-13-9-5)7(4)14(8,11)12;/h2-3H,1H3;1H.
What are the key properties of 5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride;hydrochloride?
5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride;hydrochloride has a molecular weight of 285.18 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride;hydrochloride is sourced from PubChem (CID 45074817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).