N-(3,4-dichlorophenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C16H13Cl2F3N2O3S — CID 46420331

IUPACN-(3,4-dichlorophenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2F3N2O3S/c1-9(15(24)22-10-6-7-12(17)13(18)8-10)23-27(25,26)14-5-3-2-4-11(14)16(19,20)21/h2-9,23H,1H3,(H,22,24)
InChIKeyPJPRCOABCDOOHI-UHFFFAOYSA-N
MW441.26 g/mol
LogP4.32
Rot. Bonds5

About N-(3,4-dichlorophenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

N-(3,4-dichlorophenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 46420331) has the molecular formula C16H13Cl2F3N2O3S and a molecular weight of 441.26 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID46420331
Molecular FormulaC16H13Cl2F3N2O3S
Molecular Weight441.26 g/mol
Exact Mass440.00
IUPAC NameN-(3,4-dichlorophenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2F3N2O3S/c1-9(15(24)22-10-6-7-12(17)13(18)8-10)23-27(25,26)14-5-3-2-4-11(14)16(19,20)21/h2-9,23H,1H3,(H,22,24)
InChIKeyPJPRCOABCDOOHI-UHFFFAOYSA-N
XLogP4.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.26
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 46420331) is N-(3,4-dichlorophenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is CC(NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is PJPRCOABCDOOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F3N2O3S/c1-9(15(24)22-10-6-7-12(17)13(18)8-10)23-27(25,26)14-5-3-2-4-11(14)16(19,20)21/h2-9,23H,1H3,(H,22,24).
What are the key properties of N-(3,4-dichlorophenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
N-(3,4-dichlorophenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 441.26 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 46420331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).