2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide

C18H17Cl2N3O4S — CID 24500716

IUPAC2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1Cl)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H17Cl2N3O4S/c1-11(27-16-7-4-12(10-21)8-15(16)20)18(24)22-13-5-6-14(19)17(9-13)28(25,26)23(2)3/h4-9,11H,1-3H3,(H,22,24)
InChIKeyNOCYLRJGWHBHRM-UHFFFAOYSA-N
MW442.32 g/mol
LogP3.52
Rot. Bonds6

About 2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide

2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide (PubChem CID 24500716) has the molecular formula C18H17Cl2N3O4S and a molecular weight of 442.32 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide
PubChem CID24500716
Molecular FormulaC18H17Cl2N3O4S
Molecular Weight442.32 g/mol
Exact Mass441.03
IUPAC Name2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1ccc(C#N)cc1Cl)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H17Cl2N3O4S/c1-11(27-16-7-4-12(10-21)8-15(16)20)18(24)22-13-5-6-14(19)17(9-13)28(25,26)23(2)3/h4-9,11H,1-3H3,(H,22,24)
InChIKeyNOCYLRJGWHBHRM-UHFFFAOYSA-N
XLogP3.52
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
CID 8976802
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 8976528
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 9383960
(2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide
CID 8976471
(2R)-2-(2-chloro-4-cyanophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9383986
(2R)-2-(2-chloro-4-cyanophenoxy)-N-(3-methylphenyl)propanamide
CID 8976723
2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide
CID 60667353
N-(3-chloro-4-methoxyphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 55422385
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 27738655
(2R)-2-(2-chloro-4-phenylphenoxy)-N-(4-cyanophenyl)propanamide
CID 7561215
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-cyanophenoxy)propanamide
CID 42902010
N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide
CID 60667398

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide (CID 24500716) is 2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide is CC(Oc1ccc(C#N)cc1Cl)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide?
The InChIKey is NOCYLRJGWHBHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O4S/c1-11(27-16-7-4-12(10-21)8-15(16)20)18(24)22-13-5-6-14(19)17(9-13)28(25,26)23(2)3/h4-9,11H,1-3H3,(H,22,24).
What are the key properties of 2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide?
2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide has a molecular weight of 442.32 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 24500716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).