2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,3-dichlorophenyl)acetamide

C20H14Cl4N2O3S — CID 21372113

IUPAC2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,3-dichlorophenyl)acetamide
SMILESO=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C20H14Cl4N2O3S/c21-13-9-14(22)11-15(10-13)26(30(28,29)16-5-2-1-3-6-16)12-19(27)25-18-8-4-7-17(23)20(18)24/h1-11H,12H2,(H,25,27)
InChIKeyXDYPBWVGLJBZPH-UHFFFAOYSA-N
MW504.22 g/mol
LogP6.13
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,3-dichlorophenyl)acetamide

2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,3-dichlorophenyl)acetamide (PubChem CID 21372113) has the molecular formula C20H14Cl4N2O3S and a molecular weight of 504.22 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,3-dichlorophenyl)acetamide
PubChem CID21372113
Molecular FormulaC20H14Cl4N2O3S
Molecular Weight504.22 g/mol
Exact Mass501.95
IUPAC Name2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,3-dichlorophenyl)acetamide
SMILESO=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C20H14Cl4N2O3S/c21-13-9-14(22)11-15(10-13)26(30(28,29)16-5-2-1-3-6-16)12-19(27)25-18-8-4-7-17(23)20(18)24/h1-11H,12H2,(H,25,27)
InChIKeyXDYPBWVGLJBZPH-UHFFFAOYSA-N
XLogP6.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.22
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2,3-dichlorophenyl)acetamide
CID 126271164
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-phenylphenyl)acetamide
CID 126129468
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-propan-2-ylphenyl)acetamide
CID 126132339
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide
CID 21372817
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 51343549
2-[[2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid
CID 51344434
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,3-dichlorophenyl)acetamide
CID 21372845
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126270311
N-(2-bromophenyl)-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43891686
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2897139
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide
CID 2282100
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(3,4-dimethylphenyl)acetamide
CID 30169816

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,3-dichlorophenyl)acetamide (CID 21372113) is 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,3-dichlorophenyl)acetamide is O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is XDYPBWVGLJBZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl4N2O3S/c21-13-9-14(22)11-15(10-13)26(30(28,29)16-5-2-1-3-6-16)12-19(27)25-18-8-4-7-17(23)20(18)24/h1-11H,12H2,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,3-dichlorophenyl)acetamide?
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 504.22 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 21372113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).