3-amino-5-fluoro-4-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide

C11H12FN3O3S — CID 116792354

IUPAC3-amino-5-fluoro-4-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide
SMILESCc1coc(NS(=O)(=O)c2cc(N)c(C)c(F)c2)n1
InChIInChI=1S/C11H12FN3O3S/c1-6-5-18-11(14-6)15-19(16,17)8-3-9(12)7(2)10(13)4-8/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyVSWJGKZGAOJDAV-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.81
Rot. Bonds3

About 3-amino-5-fluoro-4-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide

3-amino-5-fluoro-4-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide (PubChem CID 116792354) has the molecular formula C11H12FN3O3S and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide
PubChem CID116792354
Molecular FormulaC11H12FN3O3S
Molecular Weight285.30 g/mol
Exact Mass285.06
IUPAC Name3-amino-5-fluoro-4-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide
SMILESCc1coc(NS(=O)(=O)c2cc(N)c(C)c(F)c2)n1
InChIInChI=1S/C11H12FN3O3S/c1-6-5-18-11(14-6)15-19(16,17)8-3-9(12)7(2)10(13)4-8/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyVSWJGKZGAOJDAV-UHFFFAOYSA-N
XLogP1.81
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-chloro-2-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 114380301
3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791735
3-amino-5-fluoro-4-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 116791313
3-amino-5-fluoro-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 116792346
3-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 116791365
3-amino-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 116791990
3-amino-5-fluoro-4-methyl-N-pyrazin-2-ylbenzenesulfonamide
CID 116791557
3-amino-N-(6-chloropyridazin-3-yl)-5-fluoro-4-methylbenzenesulfonamide
CID 116792388
3-amino-N-(2,2-dimethylcyclopropyl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791780
3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
CID 116791808
3-amino-N-butyl-5-fluoro-4-methylbenzenesulfonamide
CID 116791407
3-amino-5-fluoro-4-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333363

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide (CID 116792354) is 3-amino-5-fluoro-4-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide is Cc1coc(NS(=O)(=O)c2cc(N)c(C)c(F)c2)n1.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide?
The InChIKey is VSWJGKZGAOJDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S/c1-6-5-18-11(14-6)15-19(16,17)8-3-9(12)7(2)10(13)4-8/h3-5H,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-5-fluoro-4-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide?
3-amino-5-fluoro-4-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide has a molecular weight of 285.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-(4-methyl-1,3-oxazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 116792354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).