2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide

C16H16Cl2N2O3S — CID 2221414

IUPAC2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide
SMILESCCNC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O3S/c1-2-19-16(21)11-20(15-10-12(17)8-9-14(15)18)24(22,23)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyRCYBXQGTEUIOKJ-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.32
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide

2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide (PubChem CID 2221414) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide
PubChem CID2221414
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide
SMILESCCNC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O3S/c1-2-19-16(21)11-20(15-10-12(17)8-9-14(15)18)24(22,23)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyRCYBXQGTEUIOKJ-UHFFFAOYSA-N
XLogP3.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-pentylacetamide
CID 126415552
2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 126033136
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetate
CID 8705400
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide
CID 5203198
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide
CID 126120768
2-[[2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-ethylpropanamide
CID 132696766
2-[[2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 126414906
2-[[2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetyl]-[(3-chlorophenyl)methyl]amino]-N-ethylpropanamide
CID 132632519
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide
CID 126270307
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-prop-2-enylacetamide
CID 3138947
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 2978659
2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 3249148

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide (CID 2221414) is 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide is CCNC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide?
The InChIKey is RCYBXQGTEUIOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-2-19-16(21)11-20(15-10-12(17)8-9-14(15)18)24(22,23)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,19,21).
What are the key properties of 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide?
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide has a molecular weight of 387.29 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide is sourced from PubChem (CID 2221414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).