2-amino-6-fluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

C10H10FN3O3S — CID 114185734

IUPAC2-amino-6-fluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESNc1cccc(F)c1S(=O)(=O)NCc1ccno1
InChIInChI=1S/C10H10FN3O3S/c11-8-2-1-3-9(12)10(8)18(15,16)14-6-7-4-5-13-17-7/h1-5,14H,6,12H2
InChIKeyRXNOLECXJPPDDI-UHFFFAOYSA-N
MW271.27 g/mol
LogP0.87
Rot. Bonds4

About 2-amino-6-fluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

2-amino-6-fluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (PubChem CID 114185734) has the molecular formula C10H10FN3O3S and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
PubChem CID114185734
Molecular FormulaC10H10FN3O3S
Molecular Weight271.27 g/mol
Exact Mass271.04
IUPAC Name2-amino-6-fluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESNc1cccc(F)c1S(=O)(=O)NCc1ccno1
InChIInChI=1S/C10H10FN3O3S/c11-8-2-1-3-9(12)10(8)18(15,16)14-6-7-4-5-13-17-7/h1-5,14H,6,12H2
InChIKeyRXNOLECXJPPDDI-UHFFFAOYSA-N
XLogP0.87
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 50.87
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

2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzenesulfonamide
CID 79225534
5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106413925
2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide
CID 115405345
2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63238706
2-amino-6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79551282
5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide
CID 106413888
2-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridine-3-sulfonamide
CID 106419554
2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423811
5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106413894
3-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridine-2-sulfonamide
CID 106419565
N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 104600384
2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424004

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-6-fluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (CID 114185734) is 2-amino-6-fluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-fluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-fluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is Nc1cccc(F)c1S(=O)(=O)NCc1ccno1.
What is the InChIKey of 2-amino-6-fluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is RXNOLECXJPPDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O3S/c11-8-2-1-3-9(12)10(8)18(15,16)14-6-7-4-5-13-17-7/h1-5,14H,6,12H2.
What are the key properties of 2-amino-6-fluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
2-amino-6-fluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 271.27 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 114185734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).