N-(diphenyl-λ4-sulfanylidene)-2,2,2-trifluoroacetamide

C14H10F3NOS — CID 11254966

IUPACN-(diphenyl-λ4-sulfanylidene)-2,2,2-trifluoroacetamide
SMILESO=C(N=S(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)13(19)18-20(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyVSLVENAPMDUPTL-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.00
Rot. Bonds2

About N-(diphenyl-λ4-sulfanylidene)-2,2,2-trifluoroacetamide

N-(diphenyl-λ4-sulfanylidene)-2,2,2-trifluoroacetamide (PubChem CID 11254966) has the molecular formula C14H10F3NOS and a molecular weight of 297.30 g/mol. Its IUPAC name is N-(diphenyl-λ4-sulfanylidene)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(diphenyl-λ4-sulfanylidene)-2,2,2-trifluoroacetamide
PubChem CID11254966
Molecular FormulaC14H10F3NOS
Molecular Weight297.30 g/mol
Exact Mass297.04
IUPAC NameN-(diphenyl-λ4-sulfanylidene)-2,2,2-trifluoroacetamide
SMILESO=C(N=S(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H10F3NOS/c15-14(16,17)13(19)18-20(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyVSLVENAPMDUPTL-UHFFFAOYSA-N
XLogP4.00
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(diphenyl-λ4-sulfanylidene)furan-2-carboxamide
CID 5057066
N,N'-bis[phenyl(trifluoromethyl)-λ4-sulfanylidene]hexanediamide
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phenol;tris(2,2,2-trifluoroacetic acid)
CID 174054747
[(S)-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfinyl]benzene
CID 134889626
N-(diphenyl-λ4-sulfanylidene)-N'-phenylethanimidamide
CID 134928433
benzoic acid;trihydrate
CID 157398339
benzoic acid;chromium
CID 139063467
Lithium benzoate, 99%
CID 57451198
benzoic acid;zirconium
CID 173089080
CID 87090637
CID 87090637
CID 87293530
CID 87293530
benzoic acid;λ2-plumbane
CID 174927932

Frequently Asked Questions

What is the IUPAC name of N-(diphenyl-λ4-sulfanylidene)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(diphenyl-λ4-sulfanylidene)-2,2,2-trifluoroacetamide (CID 11254966) is N-(diphenyl-λ4-sulfanylidene)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(diphenyl-λ4-sulfanylidene)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(diphenyl-λ4-sulfanylidene)-2,2,2-trifluoroacetamide is O=C(N=S(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of N-(diphenyl-λ4-sulfanylidene)-2,2,2-trifluoroacetamide?
The InChIKey is VSLVENAPMDUPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NOS/c15-14(16,17)13(19)18-20(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of N-(diphenyl-λ4-sulfanylidene)-2,2,2-trifluoroacetamide?
N-(diphenyl-λ4-sulfanylidene)-2,2,2-trifluoroacetamide has a molecular weight of 297.30 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diphenyl-λ4-sulfanylidene)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 11254966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).