2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-diethylanilino)acetamide

C18H20Cl2N2O3S — CID 50895419

IUPAC2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-diethylanilino)acetamide
SMILESCCc1cccc(CC)c1N(CC(N)=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N2O3S/c1-3-12-6-5-7-13(4-2)18(12)22(11-17(21)23)26(24,25)14-8-9-15(19)16(20)10-14/h5-10H,3-4,11H2,1-2H3,(H2,21,23)
InChIKeyWSORSARXKFDRPG-UHFFFAOYSA-N
MW415.34 g/mol
LogP3.80
Rot. Bonds7

About 2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-diethylanilino)acetamide

2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-diethylanilino)acetamide (PubChem CID 50895419) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-diethylanilino)acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-diethylanilino)acetamide
PubChem CID50895419
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-diethylanilino)acetamide
SMILESCCc1cccc(CC)c1N(CC(N)=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N2O3S/c1-3-12-6-5-7-13(4-2)18(12)22(11-17(21)23)26(24,25)14-8-9-15(19)16(20)10-14/h5-10H,3-4,11H2,1-2H3,(H2,21,23)
InChIKeyWSORSARXKFDRPG-UHFFFAOYSA-N
XLogP3.80
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(2,6-diethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50895453
2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-dimethylanilino)acetic acid
CID 50892060
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide
CID 1357141
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetamide
CID 50895400
2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 50891881
methyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate
CID 50889553
ethyl 2-[N-(3,4-dichlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate
CID 50893211
methyl 2-(3-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)acetate
CID 50895551
2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide
CID 50895749
2-(N-(3,4-dichlorophenyl)sulfonyl-3-iodoanilino)acetyl chloride
CID 50891184
methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-iodoanilino)acetate
CID 50891171

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-diethylanilino)acetamide?
The IUPAC name of 2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-diethylanilino)acetamide (CID 50895419) is 2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-diethylanilino)acetamide.
What is the SMILES notation for 2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-diethylanilino)acetamide?
The canonical SMILES for 2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-diethylanilino)acetamide is CCc1cccc(CC)c1N(CC(N)=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-diethylanilino)acetamide?
The InChIKey is WSORSARXKFDRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-3-12-6-5-7-13(4-2)18(12)22(11-17(21)23)26(24,25)14-8-9-15(19)16(20)10-14/h5-10H,3-4,11H2,1-2H3,(H2,21,23).
What are the key properties of 2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-diethylanilino)acetamide?
2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-diethylanilino)acetamide has a molecular weight of 415.34 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-diethylanilino)acetamide is sourced from PubChem (CID 50895419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).