5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide

C12H14FN3O3S — CID 106369243

IUPAC5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cc(N)ccc2F)oc1C
InChIInChI=1S/C12H14FN3O3S/c1-7-8(2)19-12(16-7)6-15-20(17,18)11-5-9(14)3-4-10(11)13/h3-5,15H,6,14H2,1-2H3
InChIKeyLUVCTKBANXTNEQ-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.49
Rot. Bonds4

About 5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide

5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide (PubChem CID 106369243) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
PubChem CID106369243
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC Name5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cc(N)ccc2F)oc1C
InChIInChI=1S/C12H14FN3O3S/c1-7-8(2)19-12(16-7)6-15-20(17,18)11-5-9(14)3-4-10(11)13/h3-5,15H,6,14H2,1-2H3
InChIKeyLUVCTKBANXTNEQ-UHFFFAOYSA-N
XLogP1.49
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.49
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

Sulfanilamido-dimethyl-oxazol
CID 129637065
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzenesulfonamide
CID 47359076
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,5-difluorobenzenesulfonamide
CID 47359109
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-difluorobenzenesulfonamide
CID 47359116
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 47359127
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 47359132
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-4-methylbenzenesulfonamide
CID 53597960
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,4,5-trifluorobenzenesulfonamide
CID 53598522
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 53608768
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,4-difluoroaniline
CID 54882121
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,4-difluoroaniline
CID 54882154
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluoroaniline
CID 54882181

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide (CID 106369243) is 5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide is Cc1nc(CNS(=O)(=O)c2cc(N)ccc2F)oc1C.
What is the InChIKey of 5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide?
The InChIKey is LUVCTKBANXTNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-7-8(2)19-12(16-7)6-15-20(17,18)11-5-9(14)3-4-10(11)13/h3-5,15H,6,14H2,1-2H3.
What are the key properties of 5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide?
5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide has a molecular weight of 299.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 106369243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).