2-(3-chlorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide

C22H21ClN2O4S — CID 16546883

IUPAC2-(3-chlorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C22H21ClN2O4S/c1-16(29-20-12-6-8-17(23)14-20)22(26)24-18-9-7-13-21(15-18)30(27,28)25(2)19-10-4-3-5-11-19/h3-16H,1-2H3,(H,24,26)
InChIKeyFCCDXTFIRAMIOW-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.57
Rot. Bonds7

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

2-(3-chlorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide (PubChem CID 16546883) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
PubChem CID16546883
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC Name2-(3-chlorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C22H21ClN2O4S/c1-16(29-20-12-6-8-17(23)14-20)22(26)24-18-9-7-13-21(15-18)30(27,28)25(2)19-10-4-3-5-11-19/h3-16H,1-2H3,(H,24,26)
InChIKeyFCCDXTFIRAMIOW-UHFFFAOYSA-N
XLogP4.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 42989899
2-(4-cyanophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 16546882
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-phenoxypropanamide
CID 7760061
N-[3-(diethylsulfamoyl)phenyl]-2-phenoxypropanamide
CID 18170408
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 8579892
2-(3-chlorophenoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]propanamide
CID 42905606
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(3-cyanophenyl)propanamide
CID 4782661
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2931462
(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide
CID 1313423
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide (CID 16546883) is 2-(3-chlorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is FCCDXTFIRAMIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-16(29-20-12-6-8-17(23)14-20)22(26)24-18-9-7-13-21(15-18)30(27,28)25(2)19-10-4-3-5-11-19/h3-16H,1-2H3,(H,24,26).
What are the key properties of 2-(3-chlorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide?
2-(3-chlorophenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 444.94 g/mol, XLogP of 4.57, 7 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-[methyl(phenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 16546883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).