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

C12H14FN3O3S — CID 106368906

IUPAC4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2ccc(N)cc2F)o1
InChIInChI=1S/C12H14FN3O3S/c1-2-9-6-15-12(19-9)7-16-20(17,18)11-4-3-8(14)5-10(11)13/h3-6,16H,2,7,14H2,1H3
InChIKeyWCWNXHOHZGSRRO-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.44
Rot. Bonds5

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

4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide (PubChem CID 106368906) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
PubChem CID106368906
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC Name4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2ccc(N)cc2F)o1
InChIInChI=1S/C12H14FN3O3S/c1-2-9-6-15-12(19-9)7-16-20(17,18)11-4-3-8(14)5-10(11)13/h3-6,16H,2,7,14H2,1H3
InChIKeyWCWNXHOHZGSRRO-UHFFFAOYSA-N
XLogP1.44
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.44
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

4-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106543915
5-amino-2-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369008
5-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369002
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-4-(hydroxymethyl)benzenesulfonamide
CID 106377860
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 106368938
4-amino-2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106368933
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 106368983
3-amino-2,4-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106368958
3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 106368937
3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-4-methylbenzenesulfonamide
CID 106368971
2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
CID 104889969
6-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
CID 106368950

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide (CID 106368906) is 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide is CCc1cnc(CNS(=O)(=O)c2ccc(N)cc2F)o1.
What is the InChIKey of 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide?
The InChIKey is WCWNXHOHZGSRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-2-9-6-15-12(19-9)7-16-20(17,18)11-4-3-8(14)5-10(11)13/h3-6,16H,2,7,14H2,1H3.
What are the key properties of 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide?
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide has a molecular weight of 299.33 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 106368906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).