N-(diphenyl-lambda4-sulfanylidene)-1,1,1-trifluoromethanesulfonamide

C13H10F3NO2S2 — CID 14359341

IUPACN-(diphenyl-lambda4-sulfanylidene)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(N=S(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H10F3NO2S2/c14-13(15,16)21(18,19)17-20(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyYKKJPUVFUYAXAX-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.76
Rot. Bonds3

About N-(diphenyl-lambda4-sulfanylidene)-1,1,1-trifluoromethanesulfonamide

N-(diphenyl-lambda4-sulfanylidene)-1,1,1-trifluoromethanesulfonamide (PubChem CID 14359341) has the molecular formula C13H10F3NO2S2 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-(diphenyl-lambda4-sulfanylidene)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(diphenyl-lambda4-sulfanylidene)-1,1,1-trifluoromethanesulfonamide
PubChem CID14359341
Molecular FormulaC13H10F3NO2S2
Molecular Weight333.36 g/mol
Exact Mass333.01
IUPAC NameN-(diphenyl-lambda4-sulfanylidene)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(N=S(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H10F3NO2S2/c14-13(15,16)21(18,19)17-20(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyYKKJPUVFUYAXAX-UHFFFAOYSA-N
XLogP3.76
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(diphenyl-lambda4-sulfanylidene)-1,1,1-trifluoromethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(diphenyl-lambda4-sulfanylidene)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(diphenyl-lambda4-sulfanylidene)-1,1,1-trifluoromethanesulfonamide (CID 14359341) is N-(diphenyl-lambda4-sulfanylidene)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(diphenyl-lambda4-sulfanylidene)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(diphenyl-lambda4-sulfanylidene)-1,1,1-trifluoromethanesulfonamide is O=S(=O)(N=S(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of N-(diphenyl-lambda4-sulfanylidene)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is YKKJPUVFUYAXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2S2/c14-13(15,16)21(18,19)17-20(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of N-(diphenyl-lambda4-sulfanylidene)-1,1,1-trifluoromethanesulfonamide?
N-(diphenyl-lambda4-sulfanylidene)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 333.36 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diphenyl-lambda4-sulfanylidene)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 14359341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).