N-[2-[4-(3-aminophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide

C16H15F3N2O3S — CID 86593586

IUPACN-[2-[4-(3-aminophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide
SMILESNc1cccc(S(=O)(=O)c2ccc(CCNC(=O)C(F)(F)F)cc2)c1
InChIInChI=1S/C16H15F3N2O3S/c17-16(18,19)15(22)21-9-8-11-4-6-13(7-5-11)25(23,24)14-3-1-2-12(20)10-14/h1-7,10H,8-9,20H2,(H,21,22)
InChIKeyUSKPTQMYDADLKV-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.32
Rot. Bonds5

About N-[2-[4-(3-aminophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide

N-[2-[4-(3-aminophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 86593586) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is N-[2-[4-(3-aminophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[4-(3-aminophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide
PubChem CID86593586
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC NameN-[2-[4-(3-aminophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide
SMILESNc1cccc(S(=O)(=O)c2ccc(CCNC(=O)C(F)(F)F)cc2)c1
InChIInChI=1S/C16H15F3N2O3S/c17-16(18,19)15(22)21-9-8-11-4-6-13(7-5-11)25(23,24)14-3-1-2-12(20)10-14/h1-7,10H,8-9,20H2,(H,21,22)
InChIKeyUSKPTQMYDADLKV-UHFFFAOYSA-N
XLogP2.32
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-aminophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[4-(3-aminophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide (CID 86593586) is N-[2-[4-(3-aminophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[4-(3-aminophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[4-(3-aminophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide is Nc1cccc(S(=O)(=O)c2ccc(CCNC(=O)C(F)(F)F)cc2)c1.
What is the InChIKey of N-[2-[4-(3-aminophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is USKPTQMYDADLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c17-16(18,19)15(22)21-9-8-11-4-6-13(7-5-11)25(23,24)14-3-1-2-12(20)10-14/h1-7,10H,8-9,20H2,(H,21,22).
What are the key properties of N-[2-[4-(3-aminophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[4-(3-aminophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 372.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-aminophenyl)sulfonylphenyl]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 86593586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).