N-(3-amino-4-methylphenyl)-3-(trifluoromethylsulfinyl)benzamide

C15H13F3N2O2S — CID 11501041

IUPACN-(3-amino-4-methylphenyl)-3-(trifluoromethylsulfinyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)C(F)(F)F)c2)cc1N
InChIInChI=1S/C15H13F3N2O2S/c1-9-5-6-11(8-13(9)19)20-14(21)10-3-2-4-12(7-10)23(22)15(16,17)18/h2-8H,19H2,1H3,(H,20,21)
InChIKeyFBDDYTXQEPYZAO-UHFFFAOYSA-N
MW342.34 g/mol
LogP3.46
Rot. Bonds3

About N-(3-amino-4-methylphenyl)-3-(trifluoromethylsulfinyl)benzamide

N-(3-amino-4-methylphenyl)-3-(trifluoromethylsulfinyl)benzamide (PubChem CID 11501041) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-3-(trifluoromethylsulfinyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-3-(trifluoromethylsulfinyl)benzamide
PubChem CID11501041
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC NameN-(3-amino-4-methylphenyl)-3-(trifluoromethylsulfinyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(S(=O)C(F)(F)F)c2)cc1N
InChIInChI=1S/C15H13F3N2O2S/c1-9-5-6-11(8-13(9)19)20-14(21)10-3-2-4-12(7-10)23(22)15(16,17)18/h2-8H,19H2,1H3,(H,20,21)
InChIKeyFBDDYTXQEPYZAO-UHFFFAOYSA-N
XLogP3.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methylphenyl)-3-cyanobenzamide
CID 24707349
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862
N-(3-amino-4-methylphenyl)-3-pyrrolidin-1-ylbenzamide
CID 22291087
1-N,3-N-bis(3-amino-4-methylphenyl)-5-hydroxybenzene-1,3-dicarboxamide
CID 139753115
N-(3-amino-4-methylphenyl)-3-hydroxy-5-(trifluoromethyl)benzamide
CID 143654172
N-(3-amino-4-chlorophenyl)-3-methylbenzamide
CID 16772508
3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
CID 43707949
N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 22732292
N-(3-amino-4-methylphenyl)-3,5-dimethoxybenzamide
CID 24709261
3-amino-N-(3-ethylphenyl)-4-methylbenzamide
CID 16793362
N-(3-amino-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79726156
N-(3,4-dimethylphenyl)-3-piperidin-1-ylsulfinylbenzamide
CID 144581870

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-3-(trifluoromethylsulfinyl)benzamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-3-(trifluoromethylsulfinyl)benzamide (CID 11501041) is N-(3-amino-4-methylphenyl)-3-(trifluoromethylsulfinyl)benzamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-3-(trifluoromethylsulfinyl)benzamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-3-(trifluoromethylsulfinyl)benzamide is Cc1ccc(NC(=O)c2cccc(S(=O)C(F)(F)F)c2)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-3-(trifluoromethylsulfinyl)benzamide?
The InChIKey is FBDDYTXQEPYZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c1-9-5-6-11(8-13(9)19)20-14(21)10-3-2-4-12(7-10)23(22)15(16,17)18/h2-8H,19H2,1H3,(H,20,21).
What are the key properties of N-(3-amino-4-methylphenyl)-3-(trifluoromethylsulfinyl)benzamide?
N-(3-amino-4-methylphenyl)-3-(trifluoromethylsulfinyl)benzamide has a molecular weight of 342.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-3-(trifluoromethylsulfinyl)benzamide is sourced from PubChem (CID 11501041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).