2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide

C22H20Cl2N2O3S — CID 1298612

IUPAC2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H20Cl2N2O3S/c1-2-16-11-13-17(14-12-16)25-21(27)15-26(20-10-6-9-19(23)22(20)24)30(28,29)18-7-4-3-5-8-18/h3-14H,2,15H2,1H3,(H,25,27)
InChIKeyWGISPXNBGRQINE-UHFFFAOYSA-N
MW463.39 g/mol
LogP5.39
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide

2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide (PubChem CID 1298612) has the molecular formula C22H20Cl2N2O3S and a molecular weight of 463.39 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide
PubChem CID1298612
Molecular FormulaC22H20Cl2N2O3S
Molecular Weight463.39 g/mol
Exact Mass462.06
IUPAC Name2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H20Cl2N2O3S/c1-2-16-11-13-17(14-12-16)25-21(27)15-26(20-10-6-9-19(23)22(20)24)30(28,29)18-7-4-3-5-8-18/h3-14H,2,15H2,1H3,(H,25,27)
InChIKeyWGISPXNBGRQINE-UHFFFAOYSA-N
XLogP5.39
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 ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide
CID 555613
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 21371880
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-pyridin-3-ylacetamide
CID 51345036
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 43907663
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide
CID 21372093
2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid
CID 50889512
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(4-ethylphenyl)acetamide
CID 53281300
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide
CID 2282100
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide
CID 43879930
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 1335821
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(3,4-dichlorophenyl)acetamide
CID 21371863
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 4523459

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide (CID 1298612) is 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide?
The InChIKey is WGISPXNBGRQINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3S/c1-2-16-11-13-17(14-12-16)25-21(27)15-26(20-10-6-9-19(23)22(20)24)30(28,29)18-7-4-3-5-8-18/h3-14H,2,15H2,1H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide?
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide has a molecular weight of 463.39 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 1298612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).