N-(4-cyanophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide

C16H13Cl2N3O3S — CID 113156893

IUPACN-(4-cyanophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N3O3S/c1-25(23,24)21(15-7-4-12(17)8-14(15)18)10-16(22)20-13-5-2-11(9-19)3-6-13/h2-8H,10H2,1H3,(H,20,22)
InChIKeyTWNXFZWDBBXEAK-UHFFFAOYSA-N
MW398.27 g/mol
LogP3.27
Rot. Bonds5

About N-(4-cyanophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide

N-(4-cyanophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide (PubChem CID 113156893) has the molecular formula C16H13Cl2N3O3S and a molecular weight of 398.27 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
PubChem CID113156893
Molecular FormulaC16H13Cl2N3O3S
Molecular Weight398.27 g/mol
Exact Mass397.01
IUPAC NameN-(4-cyanophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N3O3S/c1-25(23,24)21(15-7-4-12(17)8-14(15)18)10-16(22)20-13-5-2-11(9-19)3-6-13/h2-8H,10H2,1H3,(H,20,22)
InChIKeyTWNXFZWDBBXEAK-UHFFFAOYSA-N
XLogP3.27
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 5036589
N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 3272456
N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
CID 2699365
N-(2-chlorophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2712015
N-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 113154098
2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide
CID 113154863
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 23931844
N-(4-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 51343114
N-(4-cyanophenyl)-2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]acetamide
CID 113155496
N-(4-cyanophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 113155262
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1204044
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 994386

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide (CID 113156893) is N-(4-cyanophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(C#N)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(4-cyanophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide?
The InChIKey is TWNXFZWDBBXEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3S/c1-25(23,24)21(15-7-4-12(17)8-14(15)18)10-16(22)20-13-5-2-11(9-19)3-6-13/h2-8H,10H2,1H3,(H,20,22).
What are the key properties of N-(4-cyanophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide?
N-(4-cyanophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide has a molecular weight of 398.27 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113156893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).