3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide

C16H11ClF6N2O3S — CID 24602856

IUPAC3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C16H11ClF6N2O3S/c17-12-5-4-10(16(21,22)23)7-13(12)29(27,28)25-11-3-1-2-9(6-11)14(26)24-8-15(18,19)20/h1-7,25H,8H2,(H,24,26)
InChIKeyVYFUCTXMTQUURT-UHFFFAOYSA-N
MW460.78 g/mol
LogP4.45
Rot. Bonds5

About 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide

3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 24602856) has the molecular formula C16H11ClF6N2O3S and a molecular weight of 460.78 g/mol. Its IUPAC name is 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID24602856
Molecular FormulaC16H11ClF6N2O3S
Molecular Weight460.78 g/mol
Exact Mass460.01
IUPAC Name3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1
InChIInChI=1S/C16H11ClF6N2O3S/c17-12-5-4-10(16(21,22)23)7-13(12)29(27,28)25-11-3-1-2-9(6-11)14(26)24-8-15(18,19)20/h1-7,25H,8H2,(H,24,26)
InChIKeyVYFUCTXMTQUURT-UHFFFAOYSA-N
XLogP4.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.78
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 37064206
5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide
CID 2101092
3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24656490
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 162568619
N-(2-amino-2-oxoethyl)-3-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide
CID 55663136
2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 8823439
2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65371621
N-ethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25346546
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064210
2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 35955999
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 19257338
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide
CID 52699404

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide (CID 24602856) is 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1.
What is the InChIKey of 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is VYFUCTXMTQUURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF6N2O3S/c17-12-5-4-10(16(21,22)23)7-13(12)29(27,28)25-11-3-1-2-9(6-11)14(26)24-8-15(18,19)20/h1-7,25H,8H2,(H,24,26).
What are the key properties of 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 460.78 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 24602856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).