N-(2-chlorophenyl)-2-(4-methylsulfonylphenoxy)propanamide

C16H16ClNO4S — CID 51236628

IUPACN-(2-chlorophenyl)-2-(4-methylsulfonylphenoxy)propanamide
SMILESCC(Oc1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H16ClNO4S/c1-11(16(19)18-15-6-4-3-5-14(15)17)22-12-7-9-13(10-8-12)23(2,20)21/h3-11H,1-2H3,(H,18,19)
InChIKeyLEKMKOQVELORJI-UHFFFAOYSA-N
MW353.83 g/mol
LogP3.15
Rot. Bonds5

About N-(2-chlorophenyl)-2-(4-methylsulfonylphenoxy)propanamide

N-(2-chlorophenyl)-2-(4-methylsulfonylphenoxy)propanamide (PubChem CID 51236628) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-methylsulfonylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-methylsulfonylphenoxy)propanamide
PubChem CID51236628
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC NameN-(2-chlorophenyl)-2-(4-methylsulfonylphenoxy)propanamide
SMILESCC(Oc1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H16ClNO4S/c1-11(16(19)18-15-6-4-3-5-14(15)17)22-12-7-9-13(10-8-12)23(2,20)21/h3-11H,1-2H3,(H,18,19)
InChIKeyLEKMKOQVELORJI-UHFFFAOYSA-N
XLogP3.15
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832
(2R)-N-(2-chlorophenyl)-2-phenoxypropanamide
CID 837154
N-(2-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953593
N-(2-chlorophenyl)-2-(4-methylphenoxy)propanamide
CID 2983629
N-(2-chlorophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953273
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
N-(2,3-dichlorophenyl)-2-phenoxypropanamide
CID 2897939
N-(3-chloro-2-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133228883
2-(3-aminophenoxy)-N-(2-chlorophenyl)propanamide
CID 82027601
N-(2,3-dichlorophenyl)-2-(4-phenylphenoxy)propanamide
CID 4951768
(2R)-N-(2-chlorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384201
N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943656

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-methylsulfonylphenoxy)propanamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-methylsulfonylphenoxy)propanamide (CID 51236628) is N-(2-chlorophenyl)-2-(4-methylsulfonylphenoxy)propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-methylsulfonylphenoxy)propanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-methylsulfonylphenoxy)propanamide is CC(Oc1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-methylsulfonylphenoxy)propanamide?
The InChIKey is LEKMKOQVELORJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-11(16(19)18-15-6-4-3-5-14(15)17)22-12-7-9-13(10-8-12)23(2,20)21/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-(2-chlorophenyl)-2-(4-methylsulfonylphenoxy)propanamide?
N-(2-chlorophenyl)-2-(4-methylsulfonylphenoxy)propanamide has a molecular weight of 353.83 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-methylsulfonylphenoxy)propanamide is sourced from PubChem (CID 51236628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).