2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide

C15H22Cl2N3O4S+ — CID 7339596

IUPAC2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3O4S/c1-25(22,23)20(14-3-2-12(16)10-13(14)17)11-15(21)18-4-5-19-6-8-24-9-7-19/h2-3,10H,4-9,11H2,1H3,(H,18,21)/p+1
InChIKeyQVSLQMOIYFQXDY-UHFFFAOYSA-O
MW411.33 g/mol
LogP-0.21
Rot. Bonds7

About 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide

2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide (PubChem CID 7339596) has the molecular formula C15H22Cl2N3O4S+ and a molecular weight of 411.33 g/mol. Its IUPAC name is 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
PubChem CID7339596
Molecular FormulaC15H22Cl2N3O4S+
Molecular Weight411.33 g/mol
Exact Mass410.07
IUPAC Name2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3O4S/c1-25(22,23)20(14-3-2-12(16)10-13(14)17)11-15(21)18-4-5-19-6-8-24-9-7-19/h2-3,10H,4-9,11H2,1H3,(H,18,21)/p+1
InChIKeyQVSLQMOIYFQXDY-UHFFFAOYSA-O
XLogP-0.21
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 7477668
2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide
CID 7477670
2-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 7421601
2-(2,4-dichlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 2634680
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2235690
N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 3465681
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2973377
N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 30242581
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30246318
2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 126033136
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133189363
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30246310

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The IUPAC name of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide (CID 7339596) is 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The canonical SMILES for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide is CS(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The InChIKey is QVSLQMOIYFQXDY-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21Cl2N3O4S/c1-25(22,23)20(14-3-2-12(16)10-13(14)17)11-15(21)18-4-5-19-6-8-24-9-7-19/h2-3,10H,4-9,11H2,1H3,(H,18,21)/p+1.
What are the key properties of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide has a molecular weight of 411.33 g/mol, XLogP of -0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-morpholin-4-ium-4-ylethyl)acetamide is sourced from PubChem (CID 7339596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).