2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(1-phenylethyl)acetamide

C22H20Cl2N2O3S — CID 2851193

IUPAC2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20Cl2N2O3S/c1-16(17-8-4-2-5-9-17)25-22(27)15-26(21-13-12-18(23)14-20(21)24)30(28,29)19-10-6-3-7-11-19/h2-14,16H,15H2,1H3,(H,25,27)
InChIKeyZNNNCQQLEYKADQ-UHFFFAOYSA-N
MW463.39 g/mol
LogP5.07
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(1-phenylethyl)acetamide

2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(1-phenylethyl)acetamide (PubChem CID 2851193) has the molecular formula C22H20Cl2N2O3S and a molecular weight of 463.39 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(1-phenylethyl)acetamide
PubChem CID2851193
Molecular FormulaC22H20Cl2N2O3S
Molecular Weight463.39 g/mol
Exact Mass462.06
IUPAC Name2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20Cl2N2O3S/c1-16(17-8-4-2-5-9-17)25-22(27)15-26(21-13-12-18(23)14-20(21)24)30(28,29)19-10-6-3-7-11-19/h2-14,16H,15H2,1H3,(H,25,27)
InChIKeyZNNNCQQLEYKADQ-UHFFFAOYSA-N
XLogP5.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.39
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(1-phenylethyl)acetamide (CID 2851193) is 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(1-phenylethyl)acetamide is CC(NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(1-phenylethyl)acetamide?
The InChIKey is ZNNNCQQLEYKADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3S/c1-16(17-8-4-2-5-9-17)25-22(27)15-26(21-13-12-18(23)14-20(21)24)30(28,29)19-10-6-3-7-11-19/h2-14,16H,15H2,1H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(1-phenylethyl)acetamide?
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(1-phenylethyl)acetamide has a molecular weight of 463.39 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 2851193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).