2,2,2-trifluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

C11H8F3N3O3S2 — CID 998002

IUPAC2,2,2-trifluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(F)(F)F
InChIInChI=1S/C11H8F3N3O3S2/c12-11(13,14)9(18)16-7-1-3-8(4-2-7)22(19,20)17-10-15-5-6-21-10/h1-6H,(H,15,17)(H,16,18)
InChIKeyQDYXPBDOAWYGEO-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.44
Rot. Bonds4

About 2,2,2-trifluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

2,2,2-trifluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 998002) has the molecular formula C11H8F3N3O3S2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID998002
Molecular FormulaC11H8F3N3O3S2
Molecular Weight351.33 g/mol
Exact Mass351.00
IUPAC Name2,2,2-trifluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(F)(F)F
InChIInChI=1S/C11H8F3N3O3S2/c12-11(13,14)9(18)16-7-1-3-8(4-2-7)22(19,20)17-10-15-5-6-21-10/h1-6H,(H,15,17)(H,16,18)
InChIKeyQDYXPBDOAWYGEO-UHFFFAOYSA-N
XLogP2.44
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.44
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-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 998002) is 2,2,2-trifluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is QDYXPBDOAWYGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O3S2/c12-11(13,14)9(18)16-7-1-3-8(4-2-7)22(19,20)17-10-15-5-6-21-10/h1-6H,(H,15,17)(H,16,18).
What are the key properties of 2,2,2-trifluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2,2,2-trifluoro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 351.33 g/mol, XLogP of 2.44, 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-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 998002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).