N-[2-fluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]phenyl]acetamide

C13H14FN3O4S — CID 99818085

IUPACN-[2-fluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)NCc2ncc(C)o2)ccc1F
InChIInChI=1S/C13H14FN3O4S/c1-8-6-15-13(21-8)7-16-22(19,20)10-3-4-11(14)12(5-10)17-9(2)18/h3-6,16H,7H2,1-2H3,(H,17,18)
InChIKeyZXJWREVEMUXBEL-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.56
Rot. Bonds5

About N-[2-fluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]phenyl]acetamide

N-[2-fluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]phenyl]acetamide (PubChem CID 99818085) has the molecular formula C13H14FN3O4S and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[2-fluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]phenyl]acetamide
PubChem CID99818085
Molecular FormulaC13H14FN3O4S
Molecular Weight327.34 g/mol
Exact Mass327.07
IUPAC NameN-[2-fluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)NCc2ncc(C)o2)ccc1F
InChIInChI=1S/C13H14FN3O4S/c1-8-6-15-13(21-8)7-16-22(19,20)10-3-4-11(14)12(5-10)17-9(2)18/h3-6,16H,7H2,1-2H3,(H,17,18)
InChIKeyZXJWREVEMUXBEL-UHFFFAOYSA-N
XLogP1.56
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]phenyl]acetamide (CID 99818085) is N-[2-fluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1cc(S(=O)(=O)NCc2ncc(C)o2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is ZXJWREVEMUXBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O4S/c1-8-6-15-13(21-8)7-16-22(19,20)10-3-4-11(14)12(5-10)17-9(2)18/h3-6,16H,7H2,1-2H3,(H,17,18).
What are the key properties of N-[2-fluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]phenyl]acetamide?
N-[2-fluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 327.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 99818085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).