2-(3-chlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide

C17H19ClN2O4S — CID 42989899

IUPAC2-(3-chlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H19ClN2O4S/c1-12(24-15-8-4-6-13(18)10-15)17(21)19-14-7-5-9-16(11-14)25(22,23)20(2)3/h4-12H,1-3H3,(H,19,21)
InChIKeyLTSMXLMUOALBKM-UHFFFAOYSA-N
MW382.87 g/mol
LogP3.00
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide

2-(3-chlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide (PubChem CID 42989899) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
PubChem CID42989899
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name2-(3-chlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H19ClN2O4S/c1-12(24-15-8-4-6-13(18)10-15)17(21)19-14-7-5-9-16(11-14)25(22,23)20(2)3/h4-12H,1-3H3,(H,19,21)
InChIKeyLTSMXLMUOALBKM-UHFFFAOYSA-N
XLogP3.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 16546883
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 8579892
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 18146312
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2R)-2-(4-cyanophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 7818704
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 3-(dimethylsulfamoyl)benzoate
CID 7666557
2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide
CID 42905606
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 84603772
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide
CID 1313423

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide (CID 42989899) is 2-(3-chlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
The InChIKey is LTSMXLMUOALBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-12(24-15-8-4-6-13(18)10-15)17(21)19-14-7-5-9-16(11-14)25(22,23)20(2)3/h4-12H,1-3H3,(H,19,21).
What are the key properties of 2-(3-chlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
2-(3-chlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide has a molecular weight of 382.87 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 42989899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).