ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate

C16H13ClF3NO4S — CID 2447925

IUPACethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate
SMILESCCOC(=O)c1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H13ClF3NO4S/c1-2-25-15(22)11-5-3-4-6-13(11)21-26(23,24)14-9-10(16(18,19)20)7-8-12(14)17/h3-9,21H,2H2,1H3
InChIKeyGRPLVTSHDNIKOW-UHFFFAOYSA-N
MW407.80 g/mol
LogP4.34
Rot. Bonds5

About ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate

ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate (PubChem CID 2447925) has the molecular formula C16H13ClF3NO4S and a molecular weight of 407.80 g/mol. Its IUPAC name is ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate
PubChem CID2447925
Molecular FormulaC16H13ClF3NO4S
Molecular Weight407.80 g/mol
Exact Mass407.02
IUPAC Nameethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate
SMILESCCOC(=O)c1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H13ClF3NO4S/c1-2-25-15(22)11-5-3-4-6-13(11)21-26(23,24)14-9-10(16(18,19)20)7-8-12(14)17/h3-9,21H,2H2,1H3
InChIKeyGRPLVTSHDNIKOW-UHFFFAOYSA-N
XLogP4.34
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.80
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide
CID 26965393
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 3861490
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-phenylpropanoate
CID 3406154
methyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507362
ethyl 2-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
CID 95969690
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 2544450
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 2544477
2-chloro-5-(trifluoromethyl)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 26969725
ethyl 2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzoate
CID 9082931
2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 51557780
N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988016
5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide
CID 2101092

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate?
The IUPAC name of ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate (CID 2447925) is ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate.
What is the SMILES notation for ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate?
The canonical SMILES for ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate is CCOC(=O)c1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate?
The InChIKey is GRPLVTSHDNIKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO4S/c1-2-25-15(22)11-5-3-4-6-13(11)21-26(23,24)14-9-10(16(18,19)20)7-8-12(14)17/h3-9,21H,2H2,1H3.
What are the key properties of ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate?
ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate has a molecular weight of 407.80 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate is sourced from PubChem (CID 2447925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).