2-[3-sulfamoyl-2-(trifluoromethyl)-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide

C13H10F6N4O3S — CID 175751841

IUPAC2-[3-sulfamoyl-2-(trifluoromethyl)-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(-n2cc(C(F)(F)F)cn2)c(S(N)(=O)=O)c1C(F)(F)F
InChIInChI=1S/C13H10F6N4O3S/c14-12(15,16)7-4-22-23(5-7)8-2-1-6(3-9(20)24)10(13(17,18)19)11(8)27(21,25)26/h1-2,4-5H,3H2,(H2,20,24)(H2,21,25,26)
InChIKeyLUYUJRDFABFLTE-UHFFFAOYSA-N
MW416.30 g/mol
LogP1.59
Rot. Bonds4

About 2-[3-sulfamoyl-2-(trifluoromethyl)-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide

2-[3-sulfamoyl-2-(trifluoromethyl)-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide (PubChem CID 175751841) has the molecular formula C13H10F6N4O3S and a molecular weight of 416.30 g/mol. Its IUPAC name is 2-[3-sulfamoyl-2-(trifluoromethyl)-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[3-sulfamoyl-2-(trifluoromethyl)-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
PubChem CID175751841
Molecular FormulaC13H10F6N4O3S
Molecular Weight416.30 g/mol
Exact Mass416.04
IUPAC Name2-[3-sulfamoyl-2-(trifluoromethyl)-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
SMILESNC(=O)Cc1ccc(-n2cc(C(F)(F)F)cn2)c(S(N)(=O)=O)c1C(F)(F)F
InChIInChI=1S/C13H10F6N4O3S/c14-12(15,16)7-4-22-23(5-7)8-2-1-6(3-9(20)24)10(13(17,18)19)11(8)27(21,25)26/h1-2,4-5H,3H2,(H2,20,24)(H2,21,25,26)
InChIKeyLUYUJRDFABFLTE-UHFFFAOYSA-N
XLogP1.59
TPSA121.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-sulfamoyl-2-(trifluoromethyl)-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
The IUPAC name of 2-[3-sulfamoyl-2-(trifluoromethyl)-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide (CID 175751841) is 2-[3-sulfamoyl-2-(trifluoromethyl)-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-[3-sulfamoyl-2-(trifluoromethyl)-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
The canonical SMILES for 2-[3-sulfamoyl-2-(trifluoromethyl)-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide is NC(=O)Cc1ccc(-n2cc(C(F)(F)F)cn2)c(S(N)(=O)=O)c1C(F)(F)F.
What is the InChIKey of 2-[3-sulfamoyl-2-(trifluoromethyl)-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
The InChIKey is LUYUJRDFABFLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F6N4O3S/c14-12(15,16)7-4-22-23(5-7)8-2-1-6(3-9(20)24)10(13(17,18)19)11(8)27(21,25)26/h1-2,4-5H,3H2,(H2,20,24)(H2,21,25,26).
What are the key properties of 2-[3-sulfamoyl-2-(trifluoromethyl)-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide?
2-[3-sulfamoyl-2-(trifluoromethyl)-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide has a molecular weight of 416.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-sulfamoyl-2-(trifluoromethyl)-4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 175751841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).