N-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C11H10FIN2O3S — CID 5000852

IUPACN-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(I)cc1F
InChIInChI=1S/C11H10FIN2O3S/c1-6-11(7(2)18-14-6)19(16,17)15-10-4-3-8(13)5-9(10)12/h3-5,15H,1-2H3
InChIKeyZFXVZWPAHUHLEQ-UHFFFAOYSA-N
MW396.18 g/mol
LogP2.84
Rot. Bonds3

About N-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 5000852) has the molecular formula C11H10FIN2O3S and a molecular weight of 396.18 g/mol. Its IUPAC name is N-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID5000852
Molecular FormulaC11H10FIN2O3S
Molecular Weight396.18 g/mol
Exact Mass395.94
IUPAC NameN-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(I)cc1F
InChIInChI=1S/C11H10FIN2O3S/c1-6-11(7(2)18-14-6)19(16,17)15-10-4-3-8(13)5-9(10)12/h3-5,15H,1-2H3
InChIKeyZFXVZWPAHUHLEQ-UHFFFAOYSA-N
XLogP2.84
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.18
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 5000852) is N-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(I)cc1F.
What is the InChIKey of N-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is ZFXVZWPAHUHLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FIN2O3S/c1-6-11(7(2)18-14-6)19(16,17)15-10-4-3-8(13)5-9(10)12/h3-5,15H,1-2H3.
What are the key properties of N-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 396.18 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 5000852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).