2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide

C16H17ClN2O3S — CID 22304049

IUPAC2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(Cl)cc2S(C)(=O)=O)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-11-3-6-13(7-4-11)19-16(20)10-18-14-8-5-12(17)9-15(14)23(2,21)22/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyGWGYPSXJFYONQY-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.10
Rot. Bonds5

About 2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide

2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide (PubChem CID 22304049) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
PubChem CID22304049
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(Cl)cc2S(C)(=O)=O)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-11-3-6-13(7-4-11)19-16(20)10-18-14-8-5-12(17)9-15(14)23(2,21)22/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyGWGYPSXJFYONQY-UHFFFAOYSA-N
XLogP3.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(2-methylsulfonyl-4-sulfamoylanilino)acetamide
CID 56578585
2-(5-chloro-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 43385683
2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide
CID 64918984
2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026326
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide
CID 103768034
(4-chlorophenyl) 2-(4-chloro-2-methylsulfonylanilino)acetate
CID 20851144
2-(4-chloro-2-methylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 109007918
2-(5-chloro-2-methyl-3-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 22304304
N-(4-methylphenyl)-2-(2,4,5-trifluoroanilino)acetamide
CID 62816420
2-(4-chloro-2-fluoroanilino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 9099689
N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 18205586
4-[[2-(5-chloro-2-methoxy-3-methylsulfonylanilino)acetyl]amino]benzamide
CID 22305357

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide (CID 22304049) is 2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNc2ccc(Cl)cc2S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
The InChIKey is GWGYPSXJFYONQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-11-3-6-13(7-4-11)19-16(20)10-18-14-8-5-12(17)9-15(14)23(2,21)22/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide has a molecular weight of 352.84 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylsulfonylanilino)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 22304049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).