2,2,2-trifluoro-N-[(2R)-1-[4-(methoxysulfamoyl)phenyl]propan-2-yl]acetamide

C12H15F3N2O4S — CID 141118212

IUPAC2,2,2-trifluoro-N-[(2R)-1-[4-(methoxysulfamoyl)phenyl]propan-2-yl]acetamide
SMILESCONS(=O)(=O)c1ccc(C[C@@H](C)NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O4S/c1-8(16-11(18)12(13,14)15)7-9-3-5-10(6-4-9)22(19,20)17-21-2/h3-6,8,17H,7H2,1-2H3,(H,16,18)/t8-/m1/s1
InChIKeySEHRMYSAWZVMJK-MRVPVSSYSA-N
MW340.32 g/mol
LogP1.14
Rot. Bonds6

About 2,2,2-trifluoro-N-[(2R)-1-[4-(methoxysulfamoyl)phenyl]propan-2-yl]acetamide

2,2,2-trifluoro-N-[(2R)-1-[4-(methoxysulfamoyl)phenyl]propan-2-yl]acetamide (PubChem CID 141118212) has the molecular formula C12H15F3N2O4S and a molecular weight of 340.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2R)-1-[4-(methoxysulfamoyl)phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2R)-1-[4-(methoxysulfamoyl)phenyl]propan-2-yl]acetamide
PubChem CID141118212
Molecular FormulaC12H15F3N2O4S
Molecular Weight340.32 g/mol
Exact Mass340.07
IUPAC Name2,2,2-trifluoro-N-[(2R)-1-[4-(methoxysulfamoyl)phenyl]propan-2-yl]acetamide
SMILESCONS(=O)(=O)c1ccc(C[C@@H](C)NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O4S/c1-8(16-11(18)12(13,14)15)7-9-3-5-10(6-4-9)22(19,20)17-21-2/h3-6,8,17H,7H2,1-2H3,(H,16,18)/t8-/m1/s1
InChIKeySEHRMYSAWZVMJK-MRVPVSSYSA-N
XLogP1.14
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2R)-1-[4-(methoxysulfamoyl)phenyl]propan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2R)-1-[4-(methoxysulfamoyl)phenyl]propan-2-yl]acetamide (CID 141118212) is 2,2,2-trifluoro-N-[(2R)-1-[4-(methoxysulfamoyl)phenyl]propan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2R)-1-[4-(methoxysulfamoyl)phenyl]propan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2R)-1-[4-(methoxysulfamoyl)phenyl]propan-2-yl]acetamide is CONS(=O)(=O)c1ccc(C[C@@H](C)NC(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(2R)-1-[4-(methoxysulfamoyl)phenyl]propan-2-yl]acetamide?
The InChIKey is SEHRMYSAWZVMJK-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15F3N2O4S/c1-8(16-11(18)12(13,14)15)7-9-3-5-10(6-4-9)22(19,20)17-21-2/h3-6,8,17H,7H2,1-2H3,(H,16,18)/t8-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2R)-1-[4-(methoxysulfamoyl)phenyl]propan-2-yl]acetamide?
2,2,2-trifluoro-N-[(2R)-1-[4-(methoxysulfamoyl)phenyl]propan-2-yl]acetamide has a molecular weight of 340.32 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2R)-1-[4-(methoxysulfamoyl)phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 141118212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).