N-[amino-(4-fluorophenyl)-λ4-sulfanylidene]-4-(trifluoromethyl)benzamide

C14H10F4N2OS — CID 166475419

IUPACN-[amino-(4-fluorophenyl)-λ4-sulfanylidene]-4-(trifluoromethyl)benzamide
SMILESN/S(=N\C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H10F4N2OS/c15-11-5-7-12(8-6-11)22(19)20-13(21)9-1-3-10(4-2-9)14(16,17)18/h1-8H,(H2,19,20,21)
InChIKeyYVFAGWPYVBRVKU-UHFFFAOYSA-N
MW330.31 g/mol
LogP3.72
Rot. Bonds2

About N-[amino-(4-fluorophenyl)-λ4-sulfanylidene]-4-(trifluoromethyl)benzamide

N-[amino-(4-fluorophenyl)-λ4-sulfanylidene]-4-(trifluoromethyl)benzamide (PubChem CID 166475419) has the molecular formula C14H10F4N2OS and a molecular weight of 330.31 g/mol. Its IUPAC name is N-[amino-(4-fluorophenyl)-λ4-sulfanylidene]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[amino-(4-fluorophenyl)-λ4-sulfanylidene]-4-(trifluoromethyl)benzamide
PubChem CID166475419
Molecular FormulaC14H10F4N2OS
Molecular Weight330.31 g/mol
Exact Mass330.04
IUPAC NameN-[amino-(4-fluorophenyl)-λ4-sulfanylidene]-4-(trifluoromethyl)benzamide
SMILESN/S(=N\C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H10F4N2OS/c15-11-5-7-12(8-6-11)22(19)20-13(21)9-1-3-10(4-2-9)14(16,17)18/h1-8H,(H2,19,20,21)
InChIKeyYVFAGWPYVBRVKU-UHFFFAOYSA-N
XLogP3.72
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(trifluoromethyl)benzoyl]azanium
CID 153171776
N-(1-aminoethylidene)-4-(trifluoromethyl)benzamide
CID 142003582
2-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 22262196
amino 4-(trifluoromethyl)benzoate
CID 23201930
(2E)-2-hydrazinylidene-1,2-bis[4-(trifluoromethyl)phenyl]ethanone
CID 11696179
4-oxo-4-[4-(trifluoromethyl)phenyl]butanamide
CID 142703913
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate
CID 19291930
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
1-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62787435
2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 10082090
[(Z)-[amino-[4-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]amino] acetate
CID 59533943
N-[1-(4-fluorophenyl)cyclobutyl]-4-(trifluoromethyl)benzamide
CID 110445857

Frequently Asked Questions

What is the IUPAC name of N-[amino-(4-fluorophenyl)-λ4-sulfanylidene]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[amino-(4-fluorophenyl)-λ4-sulfanylidene]-4-(trifluoromethyl)benzamide (CID 166475419) is N-[amino-(4-fluorophenyl)-λ4-sulfanylidene]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[amino-(4-fluorophenyl)-λ4-sulfanylidene]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[amino-(4-fluorophenyl)-λ4-sulfanylidene]-4-(trifluoromethyl)benzamide is N/S(=N\C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[amino-(4-fluorophenyl)-λ4-sulfanylidene]-4-(trifluoromethyl)benzamide?
The InChIKey is YVFAGWPYVBRVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2OS/c15-11-5-7-12(8-6-11)22(19)20-13(21)9-1-3-10(4-2-9)14(16,17)18/h1-8H,(H2,19,20,21).
What are the key properties of N-[amino-(4-fluorophenyl)-λ4-sulfanylidene]-4-(trifluoromethyl)benzamide?
N-[amino-(4-fluorophenyl)-λ4-sulfanylidene]-4-(trifluoromethyl)benzamide has a molecular weight of 330.31 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(4-fluorophenyl)-λ4-sulfanylidene]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 166475419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).