N-benzyl-2,1,3-benzoxadiazole-4-sulfonamide

C13H11N3O3S — CID 756486

IUPACN-benzyl-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1cccc2nonc12
InChIInChI=1S/C13H11N3O3S/c17-20(18,14-9-10-5-2-1-3-6-10)12-8-4-7-11-13(12)16-19-15-11/h1-8,14H,9H2
InChIKeyRKVXJINENWXSTI-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.70
Rot. Bonds4

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

N-benzyl-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 756486) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-benzyl-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-benzyl-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID756486
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC NameN-benzyl-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1cccc2nonc12
InChIInChI=1S/C13H11N3O3S/c17-20(18,14-9-10-5-2-1-3-6-10)12-8-4-7-11-13(12)16-19-15-11/h1-8,14H,9H2
InChIKeyRKVXJINENWXSTI-UHFFFAOYSA-N
XLogP1.70
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.70
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-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
N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 692311
4-(1-Piperidinylsulfonyl)-2,1,3-benzoxadiazole
CID 757177
N-(4-methyl-3-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 1943929
N-(1-naphthyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 2814660
N-(2-methylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 6465446

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-benzyl-2,1,3-benzoxadiazole-4-sulfonamide (CID 756486) is N-benzyl-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-benzyl-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-benzyl-2,1,3-benzoxadiazole-4-sulfonamide is O=S(=O)(NCc1ccccc1)c1cccc2nonc12.
What is the InChIKey of N-benzyl-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is RKVXJINENWXSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c17-20(18,14-9-10-5-2-1-3-6-10)12-8-4-7-11-13(12)16-19-15-11/h1-8,14H,9H2.
What are the key properties of N-benzyl-2,1,3-benzoxadiazole-4-sulfonamide?
N-benzyl-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 289.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 756486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).