N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide

C17H17Cl2NO4S — CID 55734024

IUPACN-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17Cl2NO4S/c1-12(24-16-8-7-13(18)11-15(16)19)17(21)20-9-10-25(22,23)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,20,21)
InChIKeyZSYXFBSVJBRTHZ-UHFFFAOYSA-N
MW402.30 g/mol
LogP3.35
Rot. Bonds7

About N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide

N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 55734024) has the molecular formula C17H17Cl2NO4S and a molecular weight of 402.30 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
PubChem CID55734024
Molecular FormulaC17H17Cl2NO4S
Molecular Weight402.30 g/mol
Exact Mass401.03
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17Cl2NO4S/c1-12(24-16-8-7-13(18)11-15(16)19)17(21)20-9-10-25(22,23)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,20,21)
InChIKeyZSYXFBSVJBRTHZ-UHFFFAOYSA-N
XLogP3.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,4-dichlorophenoxy)propanoylamino]butanoic acid
CID 43239301
3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66165822
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-methylbutyl]propanamide
CID 2291416
N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide
CID 21034169
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
(2R)-2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 8870855
N-benzyl-2-[2-(2,4-dichlorophenoxy)propanoylamino]propanamide
CID 60571534
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 27230023
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7506039
(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7506041

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide (CID 55734024) is N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is ZSYXFBSVJBRTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO4S/c1-12(24-16-8-7-13(18)11-15(16)19)17(21)20-9-10-25(22,23)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,20,21).
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide?
N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 402.30 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 55734024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).