2-[2-chloro-4-[(2,4-difluorophenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide

C18H19ClF2N2O4S — CID 38942586

IUPAC2-[2-chloro-4-[(2,4-difluorophenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C18H19ClF2N2O4S/c1-3-23(4-2)18(24)11-27-16-7-6-13(10-14(16)19)22-28(25,26)17-8-5-12(20)9-15(17)21/h5-10,22H,3-4,11H2,1-2H3
InChIKeyXOPASZZTFJWZPS-UHFFFAOYSA-N
MW432.88 g/mol
LogP3.67
Rot. Bonds8

About 2-[2-chloro-4-[(2,4-difluorophenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide

2-[2-chloro-4-[(2,4-difluorophenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide (PubChem CID 38942586) has the molecular formula C18H19ClF2N2O4S and a molecular weight of 432.88 g/mol. Its IUPAC name is 2-[2-chloro-4-[(2,4-difluorophenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(2,4-difluorophenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide
PubChem CID38942586
Molecular FormulaC18H19ClF2N2O4S
Molecular Weight432.88 g/mol
Exact Mass432.07
IUPAC Name2-[2-chloro-4-[(2,4-difluorophenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C18H19ClF2N2O4S/c1-3-23(4-2)18(24)11-27-16-7-6-13(10-14(16)19)22-28(25,26)17-8-5-12(20)9-15(17)21/h5-10,22H,3-4,11H2,1-2H3
InChIKeyXOPASZZTFJWZPS-UHFFFAOYSA-N
XLogP3.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.88
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-[(2-methoxyphenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide
CID 55603766
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide
CID 39171469
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-chlorophenoxy)acetamide
CID 55611272
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 1007844
N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide
CID 3377300
5-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 34354427
3-[[2-(2,4-difluorophenoxy)acetyl]-ethylamino]propanoic acid
CID 61007298
2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide
CID 82915390
3-[(2-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethylbenzamide
CID 134040441
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide
CID 2488296
2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide
CID 60652409
2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide
CID 119717697

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(2,4-difluorophenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[2-chloro-4-[(2,4-difluorophenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide (CID 38942586) is 2-[2-chloro-4-[(2,4-difluorophenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-chloro-4-[(2,4-difluorophenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-chloro-4-[(2,4-difluorophenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide is CCN(CC)C(=O)COc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-[(2,4-difluorophenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide?
The InChIKey is XOPASZZTFJWZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF2N2O4S/c1-3-23(4-2)18(24)11-27-16-7-6-13(10-14(16)19)22-28(25,26)17-8-5-12(20)9-15(17)21/h5-10,22H,3-4,11H2,1-2H3.
What are the key properties of 2-[2-chloro-4-[(2,4-difluorophenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide?
2-[2-chloro-4-[(2,4-difluorophenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide has a molecular weight of 432.88 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(2,4-difluorophenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide is sourced from PubChem (CID 38942586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).