4-[4-(trifluoromethyl)phenyl]sulfanylbenzamide

C14H10F3NOS — CID 11220202

IUPAC4-[4-(trifluoromethyl)phenyl]sulfanylbenzamide
SMILESNC(=O)c1ccc(Sc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)10-3-7-12(8-4-10)20-11-5-1-9(2-6-11)13(18)19/h1-8H,(H2,18,19)
InChIKeyJLGJKMGWAMZQOZ-UHFFFAOYSA-N
MW297.30 g/mol
LogP3.96
Rot. Bonds3

About 4-[4-(trifluoromethyl)phenyl]sulfanylbenzamide

4-[4-(trifluoromethyl)phenyl]sulfanylbenzamide (PubChem CID 11220202) has the molecular formula C14H10F3NOS and a molecular weight of 297.30 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]sulfanylbenzamide.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]sulfanylbenzamide
PubChem CID11220202
Molecular FormulaC14H10F3NOS
Molecular Weight297.30 g/mol
Exact Mass297.04
IUPAC Name4-[4-(trifluoromethyl)phenyl]sulfanylbenzamide
SMILESNC(=O)c1ccc(Sc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)10-3-7-12(8-4-10)20-11-5-1-9(2-6-11)13(18)19/h1-8H,(H2,18,19)
InChIKeyJLGJKMGWAMZQOZ-UHFFFAOYSA-N
XLogP3.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]sulfanylbenzamide?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]sulfanylbenzamide (CID 11220202) is 4-[4-(trifluoromethyl)phenyl]sulfanylbenzamide.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]sulfanylbenzamide?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]sulfanylbenzamide is NC(=O)c1ccc(Sc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]sulfanylbenzamide?
The InChIKey is JLGJKMGWAMZQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NOS/c15-14(16,17)10-3-7-12(8-4-10)20-11-5-1-9(2-6-11)13(18)19/h1-8H,(H2,18,19).
What are the key properties of 4-[4-(trifluoromethyl)phenyl]sulfanylbenzamide?
4-[4-(trifluoromethyl)phenyl]sulfanylbenzamide has a molecular weight of 297.30 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]sulfanylbenzamide is sourced from PubChem (CID 11220202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).