2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide

C16H14ClN3O3S — CID 113154863

IUPAC2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O3S/c1-24(22,23)20(15-7-5-13(17)6-8-15)11-16(21)19-14-4-2-3-12(9-14)10-18/h2-9H,11H2,1H3,(H,19,21)
InChIKeyAYKSMPYNFGZUOY-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.62
Rot. Bonds5

About 2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide

2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide (PubChem CID 113154863) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is 2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide
PubChem CID113154863
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC Name2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O3S/c1-24(22,23)20(15-7-5-13(17)6-8-15)11-16(21)19-14-4-2-3-12(9-14)10-18/h2-9H,11H2,1H3,(H,19,21)
InChIKeyAYKSMPYNFGZUOY-UHFFFAOYSA-N
XLogP2.62
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
CID 113156973
N-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 113153763
N-(3-cyanophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157677
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113144165
N-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 113155193
2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 25486951
3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113147040
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1100011
2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154183
3-(3-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113146923
2-(4-chloro-N-methylsulfonylanilino)-N-(2-cyanophenyl)acetamide
CID 113154862

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide (CID 113154863) is 2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1cccc(C#N)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide?
The InChIKey is AYKSMPYNFGZUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c1-24(22,23)20(15-7-5-13(17)6-8-15)11-16(21)19-14-4-2-3-12(9-14)10-18/h2-9H,11H2,1H3,(H,19,21).
What are the key properties of 2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide?
2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide has a molecular weight of 363.83 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 113154863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).