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

C12H14FN3O3S — CID 106368937

IUPAC3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2cc(N)cc(F)c2)o1
InChIInChI=1S/C12H14FN3O3S/c1-2-10-6-15-12(19-10)7-16-20(17,18)11-4-8(13)3-9(14)5-11/h3-6,16H,2,7,14H2,1H3
InChIKeyPWFQNHQCLKMGHA-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.44
Rot. Bonds5

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

3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide (PubChem CID 106368937) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
PubChem CID106368937
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC Name3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2cc(N)cc(F)c2)o1
InChIInChI=1S/C12H14FN3O3S/c1-2-10-6-15-12(19-10)7-16-20(17,18)11-4-8(13)3-9(14)5-11/h3-6,16H,2,7,14H2,1H3
InChIKeyPWFQNHQCLKMGHA-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

3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-4-methylbenzenesulfonamide
CID 106368971
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 106368938
3-amino-4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylbenzenesulfonamide
CID 106368919
6-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
CID 106368950
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106368906
5-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369002
4-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106373743
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 106373721
5-amino-2-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369008
2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
CID 104889969
4-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106543915
4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 106370266

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide (CID 106368937) is 3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide is CCc1cnc(CNS(=O)(=O)c2cc(N)cc(F)c2)o1.
What is the InChIKey of 3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide?
The InChIKey is PWFQNHQCLKMGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-2-10-6-15-12(19-10)7-16-20(17,18)11-4-8(13)3-9(14)5-11/h3-6,16H,2,7,14H2,1H3.
What are the key properties of 3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide?
3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-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 3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 106368937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).