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

C14H10F3NOS — CID 107020049

IUPAC4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S)cc1
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)10-2-1-3-11(8-10)18-13(19)9-4-6-12(20)7-5-9/h1-8,20H,(H,18,19)
InChIKeyWJBPGLFSFGBUBI-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.25
Rot. Bonds2

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

4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 107020049) has the molecular formula C14H10F3NOS and a molecular weight of 297.30 g/mol. Its IUPAC name is 4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID107020049
Molecular FormulaC14H10F3NOS
Molecular Weight297.30 g/mol
Exact Mass297.04
IUPAC Name4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S)cc1
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)10-2-1-3-11(8-10)18-13(19)9-4-6-12(20)7-5-9/h1-8,20H,(H,18,19)
InChIKeyWJBPGLFSFGBUBI-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.25
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-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 165436567
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
1-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043396
4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 51191508
4-(phenylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639160
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
N-[3-chloro-5-(trifluoromethyl)phenyl]-4-sulfanylbenzamide
CID 107036187

Frequently Asked Questions

What is the IUPAC name of 4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide (CID 107020049) is 4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S)cc1.
What is the InChIKey of 4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is WJBPGLFSFGBUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NOS/c15-14(16,17)10-2-1-3-11(8-10)18-13(19)9-4-6-12(20)7-5-9/h1-8,20H,(H,18,19).
What are the key properties of 4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide?
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 297.30 g/mol, XLogP of 4.25, 2 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]benzamide is sourced from PubChem (CID 107020049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).