N-[[2-(4-aminophenyl)phenyl]methylsulfonyl]-2,2,2-trifluoroacetamide

C15H13F3N2O3S — CID 87326085

IUPACN-[[2-(4-aminophenyl)phenyl]methylsulfonyl]-2,2,2-trifluoroacetamide
SMILESNc1ccc(-c2ccccc2CS(=O)(=O)NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O3S/c16-15(17,18)14(21)20-24(22,23)9-11-3-1-2-4-13(11)10-5-7-12(19)8-6-10/h1-8H,9,19H2,(H,20,21)
InChIKeyWNJMWRKSPUHGNE-UHFFFAOYSA-N
MW358.34 g/mol
LogP2.44
Rot. Bonds4

About N-[[2-(4-aminophenyl)phenyl]methylsulfonyl]-2,2,2-trifluoroacetamide

N-[[2-(4-aminophenyl)phenyl]methylsulfonyl]-2,2,2-trifluoroacetamide (PubChem CID 87326085) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is N-[[2-(4-aminophenyl)phenyl]methylsulfonyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[2-(4-aminophenyl)phenyl]methylsulfonyl]-2,2,2-trifluoroacetamide
PubChem CID87326085
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC NameN-[[2-(4-aminophenyl)phenyl]methylsulfonyl]-2,2,2-trifluoroacetamide
SMILESNc1ccc(-c2ccccc2CS(=O)(=O)NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O3S/c16-15(17,18)14(21)20-24(22,23)9-11-3-1-2-4-13(11)10-5-7-12(19)8-6-10/h1-8H,9,19H2,(H,20,21)
InChIKeyWNJMWRKSPUHGNE-UHFFFAOYSA-N
XLogP2.44
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(4-aminophenyl)sulfonylmethyl]phenyl]benzamide
CID 170161061
N-[[2-(4-aminophenyl)phenyl]methyl]-2,2,2-trifluoro-N-phenylacetamide
CID 87783673
N-(2-amino-1,2-diphenylethyl)-1-(2-phenylphenyl)methanesulfonamide
CID 59537380
2-[[2-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetamide
CID 19105323
2-[2-(4-aminophenyl)anilino]acetic acid
CID 22051456
2-[(2-aminophenyl)methylsulfonylamino]acetamide
CID 62021826
1-[(2-aminophenyl)methylsulfonyl]-3-cyclopropylurea
CID 116646414
N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride
CID 22906098
4-[[2-[2-(4-aminophenyl)phenyl]phenyl]methyl]aniline
CID 89211789
2,2,2-trifluoro-N-[[2-[4-(4-oxoquinolin-1-yl)phenyl]phenyl]methyl]acetamide
CID 87276567
4-[2-(trifluoromethoxy)phenyl]aniline
CID 16768545
4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-aminophenyl)phenyl]methylsulfonyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[2-(4-aminophenyl)phenyl]methylsulfonyl]-2,2,2-trifluoroacetamide (CID 87326085) is N-[[2-(4-aminophenyl)phenyl]methylsulfonyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[2-(4-aminophenyl)phenyl]methylsulfonyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[2-(4-aminophenyl)phenyl]methylsulfonyl]-2,2,2-trifluoroacetamide is Nc1ccc(-c2ccccc2CS(=O)(=O)NC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[[2-(4-aminophenyl)phenyl]methylsulfonyl]-2,2,2-trifluoroacetamide?
The InChIKey is WNJMWRKSPUHGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c16-15(17,18)14(21)20-24(22,23)9-11-3-1-2-4-13(11)10-5-7-12(19)8-6-10/h1-8H,9,19H2,(H,20,21).
What are the key properties of N-[[2-(4-aminophenyl)phenyl]methylsulfonyl]-2,2,2-trifluoroacetamide?
N-[[2-(4-aminophenyl)phenyl]methylsulfonyl]-2,2,2-trifluoroacetamide has a molecular weight of 358.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-aminophenyl)phenyl]methylsulfonyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87326085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).