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

C16H17ClN2O3S — CID 51343169

IUPAC2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-12-7-9-13(10-8-12)18-16(20)11-19(23(2,21)22)15-6-4-3-5-14(15)17/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyFYCINLYFYNQYLD-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.05
Rot. Bonds5

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

2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide (PubChem CID 51343169) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
PubChem CID51343169
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-12-7-9-13(10-8-12)18-16(20)11-19(23(2,21)22)15-6-4-3-5-14(15)17/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyFYCINLYFYNQYLD-UHFFFAOYSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143714
2-(2-chloro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343168
2-(2-chloro-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 1363234
2-(2-chloro-N-methylsulfonylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 51343181
2-(2-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 51343170
2-(2-chloro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17312955
2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
CID 1362391
methyl 2-chloro-5-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 126318297
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1338522
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1204044
2-(2-chloro-N-methylsulfonylanilino)-N-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 126191518
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 4038920

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide (CID 51343169) is 2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
The InChIKey is FYCINLYFYNQYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-12-7-9-13(10-8-12)18-16(20)11-19(23(2,21)22)15-6-4-3-5-14(15)17/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide?
2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide has a molecular weight of 352.84 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 51343169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).