4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C15H12F3NOS — CID 107020234

IUPAC4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccc(S)cc1
InChIInChI=1S/C15H12F3NOS/c16-15(17,18)12-3-1-2-10(8-12)9-19-14(20)11-4-6-13(21)7-5-11/h1-8,21H,9H2,(H,19,20)
InChIKeyRGBWJFOSXQNPMZ-UHFFFAOYSA-N
MW311.33 g/mol
LogP3.92
Rot. Bonds3

About 4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 107020234) has the molecular formula C15H12F3NOS and a molecular weight of 311.33 g/mol. Its IUPAC name is 4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID107020234
Molecular FormulaC15H12F3NOS
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC Name4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccc(S)cc1
InChIInChI=1S/C15H12F3NOS/c16-15(17,18)12-3-1-2-10(8-12)9-19-14(20)11-4-6-13(21)7-5-11/h1-8,21H,9H2,(H,19,20)
InChIKeyRGBWJFOSXQNPMZ-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 18291756
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082
N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 17436374
N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 26887208
4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 59811276
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746
4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 2105846
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114

Frequently Asked Questions

What is the IUPAC name of 4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 107020234) is 4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(S)cc1.
What is the InChIKey of 4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is RGBWJFOSXQNPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NOS/c16-15(17,18)12-3-1-2-10(8-12)9-19-14(20)11-4-6-13(21)7-5-11/h1-8,21H,9H2,(H,19,20).
What are the key properties of 4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 311.33 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 107020234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).