2,1,3-benzothiadiazole-4-sulfonamide

C6H5N3O2S2 — CID 1382090

IUPAC2,1,3-benzothiadiazole-4-sulfonamide
SMILESNS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C6H5N3O2S2/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H,(H2,7,10,11)
InChIKeyHFYJNZZVHIQBHE-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.34
Rot. Bonds1

About 2,1,3-benzothiadiazole-4-sulfonamide

2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 1382090) has the molecular formula C6H5N3O2S2 and a molecular weight of 215.26 g/mol. Its IUPAC name is 2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound Name2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID1382090
Molecular FormulaC6H5N3O2S2
Molecular Weight215.26 g/mol
Exact Mass214.98
IUPAC Name2,1,3-benzothiadiazole-4-sulfonamide
SMILESNS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C6H5N3O2S2/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H,(H2,7,10,11)
InChIKeyHFYJNZZVHIQBHE-UHFFFAOYSA-N
XLogP0.34
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Piperazine-1-sulfonyl)-2,1,3-benzothiadiazole
CID 931485
1-(Phenylsulfonyl)-1H-benzotriazole
CID 750248
4-(Piperidine-1-sulfonyl)-2,1,3-benzothiadiazole
CID 558425
N-(2-ethylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 3626162
N-phenyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 3585479
N-(2,5-difluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 6465235
N-(2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 756494
2,1,3-Benzothiadiazole, 4-chlorosulfonyl-
CID 2735459
N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 692311
N-(4-fluorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 716427
N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 756492
4-(4-Methylpiperazin-1-yl)sulfonyl-2,1,3-benzothiadiazole
CID 757158

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of 2,1,3-benzothiadiazole-4-sulfonamide (CID 1382090) is 2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for 2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for 2,1,3-benzothiadiazole-4-sulfonamide is NS(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of 2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is HFYJNZZVHIQBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2S2/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H,(H2,7,10,11).
What are the key properties of 2,1,3-benzothiadiazole-4-sulfonamide?
2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 215.26 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 1382090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).