2,2,2-trifluoro-N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]acetamide

C12H11F3N4O3S — CID 2808730

IUPAC2,2,2-trifluoro-N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCn1nccc1NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H11F3N4O3S/c1-19-10(6-7-16-19)18-23(21,22)9-4-2-8(3-5-9)17-11(20)12(13,14)15/h2-7,18H,1H3,(H,17,20)
InChIKeyMKFHFXZEMUWNFH-UHFFFAOYSA-N
MW348.31 g/mol
LogP1.72
Rot. Bonds4

About 2,2,2-trifluoro-N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]acetamide

2,2,2-trifluoro-N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 2808730) has the molecular formula C12H11F3N4O3S and a molecular weight of 348.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID2808730
Molecular FormulaC12H11F3N4O3S
Molecular Weight348.31 g/mol
Exact Mass348.05
IUPAC Name2,2,2-trifluoro-N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCn1nccc1NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H11F3N4O3S/c1-19-10(6-7-16-19)18-23(21,22)9-4-2-8(3-5-9)17-11(20)12(13,14)15/h2-7,18H,1H3,(H,17,20)
InChIKeyMKFHFXZEMUWNFH-UHFFFAOYSA-N
XLogP1.72
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 51.72
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-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]acetamide (CID 2808730) is 2,2,2-trifluoro-N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]acetamide is Cn1nccc1NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is MKFHFXZEMUWNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O3S/c1-19-10(6-7-16-19)18-23(21,22)9-4-2-8(3-5-9)17-11(20)12(13,14)15/h2-7,18H,1H3,(H,17,20).
What are the key properties of 2,2,2-trifluoro-N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]acetamide?
2,2,2-trifluoro-N-[4-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 348.31 g/mol, XLogP of 1.72, 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-[(2-methylpyrazol-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2808730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).