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

C12H14FN3O3S — CID 106369154

IUPAC5-amino-3-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cc(N)cc(F)c2C)o1
InChIInChI=1S/C12H14FN3O3S/c1-7-5-15-12(19-7)6-16-20(17,18)11-4-9(14)3-10(13)8(11)2/h3-5,16H,6,14H2,1-2H3
InChIKeyHYQJRYFGFCFBSG-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.49
Rot. Bonds4

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

5-amino-3-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (PubChem CID 106369154) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-amino-3-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
PubChem CID106369154
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC Name5-amino-3-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cc(N)cc(F)c2C)o1
InChIInChI=1S/C12H14FN3O3S/c1-7-5-15-12(19-7)6-16-20(17,18)11-4-9(14)3-10(13)8(11)2/h3-5,16H,6,14H2,1-2H3
InChIKeyHYQJRYFGFCFBSG-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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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-3-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (CID 106369154) is 5-amino-3-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-3-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-3-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is Cc1cnc(CNS(=O)(=O)c2cc(N)cc(F)c2C)o1.
What is the InChIKey of 5-amino-3-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is HYQJRYFGFCFBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-7-5-15-12(19-7)6-16-20(17,18)11-4-9(14)3-10(13)8(11)2/h3-5,16H,6,14H2,1-2H3.
What are the key properties of 5-amino-3-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
5-amino-3-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide 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-3-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106369154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).