2,2,2-trifluoro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide

C12H10F3N3O4S — CID 682761

IUPAC2,2,2-trifluoro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)no1
InChIInChI=1S/C12H10F3N3O4S/c1-7-6-10(17-22-7)18-23(20,21)9-4-2-8(3-5-9)16-11(19)12(13,14)15/h2-6H,1H3,(H,16,19)(H,17,18)
InChIKeyMKXVDSQYIYFXGF-UHFFFAOYSA-N
MW349.29 g/mol
LogP2.28
Rot. Bonds4

About 2,2,2-trifluoro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide

2,2,2-trifluoro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 682761) has the molecular formula C12H10F3N3O4S and a molecular weight of 349.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID682761
Molecular FormulaC12H10F3N3O4S
Molecular Weight349.29 g/mol
Exact Mass349.03
IUPAC Name2,2,2-trifluoro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)no1
InChIInChI=1S/C12H10F3N3O4S/c1-7-6-10(17-22-7)18-23(20,21)9-4-2-8(3-5-9)16-11(19)12(13,14)15/h2-6H,1H3,(H,16,19)(H,17,18)
InChIKeyMKXVDSQYIYFXGF-UHFFFAOYSA-N
XLogP2.28
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide (CID 682761) is 2,2,2-trifluoro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)no1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is MKXVDSQYIYFXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O4S/c1-7-6-10(17-22-7)18-23(20,21)9-4-2-8(3-5-9)16-11(19)12(13,14)15/h2-6H,1H3,(H,16,19)(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide?
2,2,2-trifluoro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 349.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 682761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).