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

C17H18ClFN2O4S — CID 8579892

IUPAC(2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
SMILESC[C@@H](Oc1ccc(F)c(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H18ClFN2O4S/c1-11(25-13-7-8-16(19)15(18)10-13)17(22)20-12-5-4-6-14(9-12)26(23,24)21(2)3/h4-11H,1-3H3,(H,20,22)/t11-/m1/s1
InChIKeyWRKJXOIQCAGJMR-LLVKDONJSA-N
MW400.86 g/mol
LogP3.14
Rot. Bonds6

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

(2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide (PubChem CID 8579892) has the molecular formula C17H18ClFN2O4S and a molecular weight of 400.86 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
PubChem CID8579892
Molecular FormulaC17H18ClFN2O4S
Molecular Weight400.86 g/mol
Exact Mass400.07
IUPAC Name(2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
SMILESC[C@@H](Oc1ccc(F)c(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H18ClFN2O4S/c1-11(25-13-7-8-16(19)15(18)10-13)17(22)20-12-5-4-6-14(9-12)26(23,24)21(2)3/h4-11H,1-3H3,(H,20,22)/t11-/m1/s1
InChIKeyWRKJXOIQCAGJMR-LLVKDONJSA-N
XLogP3.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.86
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 42989899
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 18146312
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3-chlorophenyl)propanamide
CID 7751006
(2R)-2-(4-cyanophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 7818704
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 7751009
2-(3-chlorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 16546883
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 8579900
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578068
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7864249
2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 84603772
2-(4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 21173814
2-(4-acetamidophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 24511691

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide (CID 8579892) is (2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide is C[C@@H](Oc1ccc(F)c(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of (2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
The InChIKey is WRKJXOIQCAGJMR-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18ClFN2O4S/c1-11(25-13-7-8-16(19)15(18)10-13)17(22)20-12-5-4-6-14(9-12)26(23,24)21(2)3/h4-11H,1-3H3,(H,20,22)/t11-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide has a molecular weight of 400.86 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 8579892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).