N-[[4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide

C15H11F3N2O2S — CID 888570

IUPACN-[[4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)Nc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H11F3N2O2S/c16-15(17,18)23-12-8-6-11(7-9-12)19-14(22)20-13(21)10-4-2-1-3-5-10/h1-9H,(H2,19,20,21,22)
InChIKeyYNESHEMPWNRDPW-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.26
Rot. Bonds3

About N-[[4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide

N-[[4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide (PubChem CID 888570) has the molecular formula C15H11F3N2O2S and a molecular weight of 340.33 g/mol. Its IUPAC name is N-[[4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound NameN-[[4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide
PubChem CID888570
Molecular FormulaC15H11F3N2O2S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC NameN-[[4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)Nc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H11F3N2O2S/c16-15(17,18)23-12-8-6-11(7-9-12)19-14(22)20-13(21)10-4-2-1-3-5-10/h1-9H,(H2,19,20,21,22)
InChIKeyYNESHEMPWNRDPW-UHFFFAOYSA-N
XLogP4.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide?
The IUPAC name of N-[[4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide (CID 888570) is N-[[4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide.
What is the SMILES notation for N-[[4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide?
The canonical SMILES for N-[[4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1)Nc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-[[4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide?
The InChIKey is YNESHEMPWNRDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2S/c16-15(17,18)23-12-8-6-11(7-9-12)19-14(22)20-13(21)10-4-2-1-3-5-10/h1-9H,(H2,19,20,21,22).
What are the key properties of N-[[4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide?
N-[[4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide has a molecular weight of 340.33 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 888570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).