2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide

C11H14Cl2N2O3S — CID 126033136

IUPAC2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide
SMILESCCNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C11H14Cl2N2O3S/c1-3-14-11(16)7-15(19(2,17)18)10-6-8(12)4-5-9(10)13/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKeyUNUFVVMBXDAGRM-UHFFFAOYSA-N
MW325.22 g/mol
LogP1.90
Rot. Bonds5

About 2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide

2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide (PubChem CID 126033136) has the molecular formula C11H14Cl2N2O3S and a molecular weight of 325.22 g/mol. Its IUPAC name is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide
PubChem CID126033136
Molecular FormulaC11H14Cl2N2O3S
Molecular Weight325.22 g/mol
Exact Mass324.01
IUPAC Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide
SMILESCCNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C11H14Cl2N2O3S/c1-3-14-11(16)7-15(19(2,17)18)10-6-8(12)4-5-9(10)13/h4-6H,3,7H2,1-2H3,(H,14,16)
InChIKeyUNUFVVMBXDAGRM-UHFFFAOYSA-N
XLogP1.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide
CID 50892714
2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide
CID 113156897
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide
CID 2221414
N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 30242581
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564237
N-cyclopentyl-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 23883978
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 1308135
N-(2-benzylbutyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 43897555
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 1322632
2-(3-chloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 3139153
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 23931844
N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 27056713

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide?
The IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide (CID 126033136) is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide?
The canonical SMILES for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide is CCNC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide?
The InChIKey is UNUFVVMBXDAGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3S/c1-3-14-11(16)7-15(19(2,17)18)10-6-8(12)4-5-9(10)13/h4-6H,3,7H2,1-2H3,(H,14,16).
What are the key properties of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide?
2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide has a molecular weight of 325.22 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide is sourced from PubChem (CID 126033136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).