2,1,3-benzoxadiazole-4-sulfonamide

C6H5N3O3S — CID 2756590

IUPAC2,1,3-benzoxadiazole-4-sulfonamide
SMILESNS(=O)(=O)c1cccc2nonc12
InChIInChI=1S/C6H5N3O3S/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H,(H2,7,10,11)
InChIKeyWQAIYIVOEJWVLC-UHFFFAOYSA-N
MW199.19 g/mol
LogP-0.13
Rot. Bonds1

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

2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 2756590) has the molecular formula C6H5N3O3S and a molecular weight of 199.19 g/mol. Its IUPAC name is 2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound Name2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID2756590
Molecular FormulaC6H5N3O3S
Molecular Weight199.19 g/mol
Exact Mass199.01
IUPAC Name2,1,3-benzoxadiazole-4-sulfonamide
SMILESNS(=O)(=O)c1cccc2nonc12
InChIInChI=1S/C6H5N3O3S/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H,(H2,7,10,11)
InChIKeyWQAIYIVOEJWVLC-UHFFFAOYSA-N
XLogP-0.13
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Azepan-1-ylsulfonyl)-2,1,3-benzoxadiazole
CID 712284
N-(4-bromophenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 998756
4-[(3-Methylpiperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole
CID 2842396
N-(2,2-dimethoxyethyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 3265281
N-phenyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 3585479
N-(2,5-difluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 6465235
2,1,3-Benzothiadiazole, 4-chlorosulfonyl-
CID 2735459
2,1,3-Benzothiadiazole-4-sulfonamide
CID 1382090
N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 692311
N-(4-fluorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 716427
4-(1-Piperidinylsulfonyl)-2,1,3-benzoxadiazole
CID 757177
N-(2-methylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 6465446

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of 2,1,3-benzoxadiazole-4-sulfonamide (CID 2756590) is 2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for 2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for 2,1,3-benzoxadiazole-4-sulfonamide is NS(=O)(=O)c1cccc2nonc12.
What is the InChIKey of 2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is WQAIYIVOEJWVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O3S/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-benzoxadiazole-4-sulfonamide?
2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 199.19 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 2756590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).