N-(2,5-dichloro-3-propanoylphenyl)-1,1,1-trifluoromethanesulfonamide

C10H8Cl2F3NO3S — CID 70986346

IUPACN-(2,5-dichloro-3-propanoylphenyl)-1,1,1-trifluoromethanesulfonamide
SMILESCCC(=O)c1cc(Cl)cc(NS(=O)(=O)C(F)(F)F)c1Cl
InChIInChI=1S/C10H8Cl2F3NO3S/c1-2-8(17)6-3-5(11)4-7(9(6)12)16-20(18,19)10(13,14)15/h3-4,16H,2H2,1H3
InChIKeyOLTQSWSSBFBYTH-UHFFFAOYSA-N
MW350.15 g/mol
LogP3.85
Rot. Bonds4

About N-(2,5-dichloro-3-propanoylphenyl)-1,1,1-trifluoromethanesulfonamide

N-(2,5-dichloro-3-propanoylphenyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 70986346) has the molecular formula C10H8Cl2F3NO3S and a molecular weight of 350.15 g/mol. Its IUPAC name is N-(2,5-dichloro-3-propanoylphenyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2,5-dichloro-3-propanoylphenyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID70986346
Molecular FormulaC10H8Cl2F3NO3S
Molecular Weight350.15 g/mol
Exact Mass348.96
IUPAC NameN-(2,5-dichloro-3-propanoylphenyl)-1,1,1-trifluoromethanesulfonamide
SMILESCCC(=O)c1cc(Cl)cc(NS(=O)(=O)C(F)(F)F)c1Cl
InChIInChI=1S/C10H8Cl2F3NO3S/c1-2-8(17)6-3-5(11)4-7(9(6)12)16-20(18,19)10(13,14)15/h3-4,16H,2H2,1H3
InChIKeyOLTQSWSSBFBYTH-UHFFFAOYSA-N
XLogP3.85
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.15
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,5-dichloro-3-propanoylphenyl)-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-(2,5-dichloro-3-propanoylphenyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2,5-dichloro-3-propanoylphenyl)-1,1,1-trifluoromethanesulfonamide (CID 70986346) is N-(2,5-dichloro-3-propanoylphenyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2,5-dichloro-3-propanoylphenyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2,5-dichloro-3-propanoylphenyl)-1,1,1-trifluoromethanesulfonamide is CCC(=O)c1cc(Cl)cc(NS(=O)(=O)C(F)(F)F)c1Cl.
What is the InChIKey of N-(2,5-dichloro-3-propanoylphenyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is OLTQSWSSBFBYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2F3NO3S/c1-2-8(17)6-3-5(11)4-7(9(6)12)16-20(18,19)10(13,14)15/h3-4,16H,2H2,1H3.
What are the key properties of N-(2,5-dichloro-3-propanoylphenyl)-1,1,1-trifluoromethanesulfonamide?
N-(2,5-dichloro-3-propanoylphenyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 350.15 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-3-propanoylphenyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 70986346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).