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

C13H10FN3O3S — CID 5061080

IUPACN-[(4-fluorophenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1cccc2nonc12
InChIInChI=1S/C13H10FN3O3S/c14-10-6-4-9(5-7-10)8-15-21(18,19)12-3-1-2-11-13(12)17-20-16-11/h1-7,15H,8H2
InChIKeyQXYBLEMKJDALFE-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.84
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 5061080) has the molecular formula C13H10FN3O3S and a molecular weight of 307.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID5061080
Molecular FormulaC13H10FN3O3S
Molecular Weight307.31 g/mol
Exact Mass307.04
IUPAC NameN-[(4-fluorophenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1cccc2nonc12
InChIInChI=1S/C13H10FN3O3S/c14-10-6-4-9(5-7-10)8-15-21(18,19)12-3-1-2-11-13(12)17-20-16-11/h1-7,15H,8H2
InChIKeyQXYBLEMKJDALFE-UHFFFAOYSA-N
XLogP1.84
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide (CID 5061080) is N-[(4-fluorophenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide is O=S(=O)(NCc1ccc(F)cc1)c1cccc2nonc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is QXYBLEMKJDALFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3S/c14-10-6-4-9(5-7-10)8-15-21(18,19)12-3-1-2-11-13(12)17-20-16-11/h1-7,15H,8H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide?
N-[(4-fluorophenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 307.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 5061080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).