N-(4-methyl-2-pyridinyl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride

C12H11ClN4O2S2 — CID 6602864

IUPACN-(4-methyl-2-pyridinyl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride
SMILESCc1ccnc(NS(=O)(=O)c2cccc3nsnc23)c1.Cl
InChIInChI=1S/C12H10N4O2S2.ClH/c1-8-5-6-13-11(7-8)16-20(17,18)10-4-2-3-9-12(10)15-19-14-9;/h2-7H,1H3,(H,13,16);1H
InChIKeyIQVMMPAIKSZRGG-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.62
Rot. Bonds3

About N-(4-methyl-2-pyridinyl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride

N-(4-methyl-2-pyridinyl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride (PubChem CID 6602864) has the molecular formula C12H11ClN4O2S2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride
PubChem CID6602864
Molecular FormulaC12H11ClN4O2S2
Molecular Weight342.83 g/mol
Exact Mass342.00
IUPAC NameN-(4-methyl-2-pyridinyl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride
SMILESCc1ccnc(NS(=O)(=O)c2cccc3nsnc23)c1.Cl
InChIInChI=1S/C12H10N4O2S2.ClH/c1-8-5-6-13-11(7-8)16-20(17,18)10-4-2-3-9-12(10)15-19-14-9;/h2-7H,1H3,(H,13,16);1H
InChIKeyIQVMMPAIKSZRGG-UHFFFAOYSA-N
XLogP2.62
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-(4-methyl-2-pyridinyl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride (CID 6602864) is N-(4-methyl-2-pyridinyl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride is Cc1ccnc(NS(=O)(=O)c2cccc3nsnc23)c1.Cl.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride?
The InChIKey is IQVMMPAIKSZRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S2.ClH/c1-8-5-6-13-11(7-8)16-20(17,18)10-4-2-3-9-12(10)15-19-14-9;/h2-7H,1H3,(H,13,16);1H.
What are the key properties of N-(4-methyl-2-pyridinyl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride?
N-(4-methyl-2-pyridinyl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 6602864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).