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

C16H13Cl2F3N2O3S — CID 30329968

IUPACN-(3,4-dichlorophenyl)-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H13Cl2F3N2O3S/c1-23(9-15(24)22-10-6-7-12(17)13(18)8-10)27(25,26)14-5-3-2-4-11(14)16(19,20)21/h2-8H,9H2,1H3,(H,22,24)
InChIKeyGZBGUOVQGOUGPM-UHFFFAOYSA-N
MW441.26 g/mol
LogP4.27
Rot. Bonds5

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

N-(3,4-dichlorophenyl)-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 30329968) has the molecular formula C16H13Cl2F3N2O3S and a molecular weight of 441.26 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID30329968
Molecular FormulaC16H13Cl2F3N2O3S
Molecular Weight441.26 g/mol
Exact Mass440.00
IUPAC NameN-(3,4-dichlorophenyl)-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H13Cl2F3N2O3S/c1-23(9-15(24)22-10-6-7-12(17)13(18)8-10)27(25,26)14-5-3-2-4-11(14)16(19,20)21/h2-8H,9H2,1H3,(H,22,24)
InChIKeyGZBGUOVQGOUGPM-UHFFFAOYSA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.26
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 30329968) is N-(3,4-dichlorophenyl)-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is GZBGUOVQGOUGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F3N2O3S/c1-23(9-15(24)22-10-6-7-12(17)13(18)8-10)27(25,26)14-5-3-2-4-11(14)16(19,20)21/h2-8H,9H2,1H3,(H,22,24).
What are the key properties of N-(3,4-dichlorophenyl)-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-(3,4-dichlorophenyl)-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 441.26 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 30329968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).