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

C16H13Cl2F3N2O3S — CID 47078901

IUPAC2-(3,4-dichlorophenyl)-N-[4-(methanesulfonamido)-2-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c(C(F)(F)F)c1
InChIInChI=1S/C16H13Cl2F3N2O3S/c1-27(25,26)23-10-3-5-14(11(8-10)16(19,20)21)22-15(24)7-9-2-4-12(17)13(18)6-9/h2-6,8,23H,7H2,1H3,(H,22,24)
InChIKeyOIPYZJGFGLOAHH-UHFFFAOYSA-N
MW441.26 g/mol
LogP4.56
Rot. Bonds5

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

2-(3,4-dichlorophenyl)-N-[4-(methanesulfonamido)-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 47078901) has the molecular formula C16H13Cl2F3N2O3S and a molecular weight of 441.26 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[4-(methanesulfonamido)-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[4-(methanesulfonamido)-2-(trifluoromethyl)phenyl]acetamide
PubChem CID47078901
Molecular FormulaC16H13Cl2F3N2O3S
Molecular Weight441.26 g/mol
Exact Mass440.00
IUPAC Name2-(3,4-dichlorophenyl)-N-[4-(methanesulfonamido)-2-(trifluoromethyl)phenyl]acetamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c(C(F)(F)F)c1
InChIInChI=1S/C16H13Cl2F3N2O3S/c1-27(25,26)23-10-3-5-14(11(8-10)16(19,20)21)22-15(24)7-9-2-4-12(17)13(18)6-9/h2-6,8,23H,7H2,1H3,(H,22,24)
InChIKeyOIPYZJGFGLOAHH-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-[[2-(3,4-dichlorophenyl)acetyl]amino]-3-(trifluoromethyl)anilino]-4-methyl-1-oxopentan-2-yl]phosphonic acid
CID 170275932
N-[3-(3,4-dichlorophenyl)-2-oxopropyl]-3-[4-(methanesulfonamido)phenyl]propanamide
CID 58328858
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 2101244
2-(3,4-dichlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107151
N-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide
CID 24591375
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 7957082
2-(3,4-dichlorophenyl)-N-(2-methylphenyl)acetamide
CID 2599145
2-(3,4-dichlorophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 8743954
N-(2-amino-4-chlorophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045441
N-(4-amino-2-methylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045442
N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765741
N-[4-(acetylsulfamoyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 2471941

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[4-(methanesulfonamido)-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[4-(methanesulfonamido)-2-(trifluoromethyl)phenyl]acetamide (CID 47078901) is 2-(3,4-dichlorophenyl)-N-[4-(methanesulfonamido)-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[4-(methanesulfonamido)-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[4-(methanesulfonamido)-2-(trifluoromethyl)phenyl]acetamide is CS(=O)(=O)Nc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c(C(F)(F)F)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[4-(methanesulfonamido)-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OIPYZJGFGLOAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F3N2O3S/c1-27(25,26)23-10-3-5-14(11(8-10)16(19,20)21)22-15(24)7-9-2-4-12(17)13(18)6-9/h2-6,8,23H,7H2,1H3,(H,22,24).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[4-(methanesulfonamido)-2-(trifluoromethyl)phenyl]acetamide?
2-(3,4-dichlorophenyl)-N-[4-(methanesulfonamido)-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 441.26 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[4-(methanesulfonamido)-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 47078901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).