N-(2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide

C12H8FN3O3S — CID 3265280

IUPACN-(2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1F)c1cccc2nonc12
InChIInChI=1S/C12H8FN3O3S/c13-8-4-1-2-5-9(8)16-20(17,18)11-7-3-6-10-12(11)15-19-14-10/h1-7,16H
InChIKeyMNYJQUORQUVOSX-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.16
Rot. Bonds3

About N-(2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide

N-(2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 3265280) has the molecular formula C12H8FN3O3S and a molecular weight of 293.28 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID3265280
Molecular FormulaC12H8FN3O3S
Molecular Weight293.28 g/mol
Exact Mass293.03
IUPAC NameN-(2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1F)c1cccc2nonc12
InChIInChI=1S/C12H8FN3O3S/c13-8-4-1-2-5-9(8)16-20(17,18)11-7-3-6-10-12(11)15-19-14-10/h1-7,16H
InChIKeyMNYJQUORQUVOSX-UHFFFAOYSA-N
XLogP2.16
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diazox_sulfon_A(36)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-(2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide (CID 3265280) is N-(2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide is O=S(=O)(Nc1ccccc1F)c1cccc2nonc12.
What is the InChIKey of N-(2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is MNYJQUORQUVOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O3S/c13-8-4-1-2-5-9(8)16-20(17,18)11-7-3-6-10-12(11)15-19-14-10/h1-7,16H.
What are the key properties of N-(2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide?
N-(2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 293.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 3265280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).