N-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide

C16H11ClF6N2O3S — CID 24591375

IUPACN-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H11ClF6N2O3S/c1-8(26)24-10-3-5-13(11(7-10)16(21,22)23)25-29(27,28)14-6-9(15(18,19)20)2-4-12(14)17/h2-7,25H,1H3,(H,24,26)
InChIKeyKWEVHCNJSOSTSJ-UHFFFAOYSA-N
MW460.78 g/mol
LogP5.14
Rot. Bonds4

About N-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide

N-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 24591375) has the molecular formula C16H11ClF6N2O3S and a molecular weight of 460.78 g/mol. Its IUPAC name is N-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide
PubChem CID24591375
Molecular FormulaC16H11ClF6N2O3S
Molecular Weight460.78 g/mol
Exact Mass460.01
IUPAC NameN-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H11ClF6N2O3S/c1-8(26)24-10-3-5-13(11(7-10)16(21,22)23)25-29(27,28)14-6-9(15(18,19)20)2-4-12(14)17/h2-7,25H,1H3,(H,24,26)
InChIKeyKWEVHCNJSOSTSJ-UHFFFAOYSA-N
XLogP5.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.78
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(benzenesulfonamido)-3-(trifluoromethyl)phenyl]acetamide
CID 24591363
4-[[4-acetamido-2-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 24591397
dimethyl 2-[[4-acetamido-2-(trifluoromethyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate
CID 24591390
N-[4-[(2,5-dichlorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 55864253
2-chloro-5-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 26969725
2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 51557780
5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide
CID 2101092
N-[2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]acetamide
CID 3824070
2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 35955999
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
N-[4-[(3,4-diethoxyphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide
CID 24604753
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide
CID 26965393

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide (CID 24591375) is N-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KWEVHCNJSOSTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF6N2O3S/c1-8(26)24-10-3-5-13(11(7-10)16(21,22)23)25-29(27,28)14-6-9(15(18,19)20)2-4-12(14)17/h2-7,25H,1H3,(H,24,26).
What are the key properties of N-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide?
N-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 460.78 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24591375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).