N-(3-chlorophenyl)-2-(2-cyano-N-methylsulfonylanilino)acetamide

C16H14ClN3O3S — CID 113157216

IUPACN-(3-chlorophenyl)-2-(2-cyano-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1C#N
InChIInChI=1S/C16H14ClN3O3S/c1-24(22,23)20(15-8-3-2-5-12(15)10-18)11-16(21)19-14-7-4-6-13(17)9-14/h2-9H,11H2,1H3,(H,19,21)
InChIKeyGHCJJPKGRGOYAG-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.62
Rot. Bonds5

About N-(3-chlorophenyl)-2-(2-cyano-N-methylsulfonylanilino)acetamide

N-(3-chlorophenyl)-2-(2-cyano-N-methylsulfonylanilino)acetamide (PubChem CID 113157216) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2-cyano-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2-cyano-N-methylsulfonylanilino)acetamide
PubChem CID113157216
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC NameN-(3-chlorophenyl)-2-(2-cyano-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1C#N
InChIInChI=1S/C16H14ClN3O3S/c1-24(22,23)20(15-8-3-2-5-12(15)10-18)11-16(21)19-14-7-4-6-13(17)9-14/h2-9H,11H2,1H3,(H,19,21)
InChIKeyGHCJJPKGRGOYAG-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

2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157541
2-(2-chloro-N-methylsulfonylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 51343181
2-(2-cyano-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113157205
2-(2-chloro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343168
2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide
CID 113154863
N-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
CID 113156973
N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154183
N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 1249861
N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide
CID 1314993
2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide
CID 113157125
methyl 2-[[2-(2-cyano-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 113157244

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2-cyano-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2-cyano-N-methylsulfonylanilino)acetamide (CID 113157216) is N-(3-chlorophenyl)-2-(2-cyano-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2-cyano-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2-cyano-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1C#N.
What is the InChIKey of N-(3-chlorophenyl)-2-(2-cyano-N-methylsulfonylanilino)acetamide?
The InChIKey is GHCJJPKGRGOYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c1-24(22,23)20(15-8-3-2-5-12(15)10-18)11-16(21)19-14-7-4-6-13(17)9-14/h2-9H,11H2,1H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-2-(2-cyano-N-methylsulfonylanilino)acetamide?
N-(3-chlorophenyl)-2-(2-cyano-N-methylsulfonylanilino)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 N-(3-chlorophenyl)-2-(2-cyano-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113157216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).