N-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide

C16H13Cl2N3O3S — CID 113156973

IUPACN-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(C#N)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H13Cl2N3O3S/c1-25(23,24)21(16-13(17)6-3-7-14(16)18)10-15(22)20-12-5-2-4-11(8-12)9-19/h2-8H,10H2,1H3,(H,20,22)
InChIKeyABXZJSXITPTNDH-UHFFFAOYSA-N
MW398.27 g/mol
LogP3.27
Rot. Bonds5

About N-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide

N-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide (PubChem CID 113156973) has the molecular formula C16H13Cl2N3O3S and a molecular weight of 398.27 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
PubChem CID113156973
Molecular FormulaC16H13Cl2N3O3S
Molecular Weight398.27 g/mol
Exact Mass397.01
IUPAC NameN-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(C#N)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H13Cl2N3O3S/c1-25(23,24)21(16-13(17)6-3-7-14(16)18)10-15(22)20-12-5-2-4-11(8-12)9-19/h2-8H,10H2,1H3,(H,20,22)
InChIKeyABXZJSXITPTNDH-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

N-(3-cyanophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157677
2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide
CID 113154863
N-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 113153763
N-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 113155193
2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 25486951
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113144165
3-(3-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113146923
3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113147040
2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide
CID 99621516
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113144095
N-(3-chlorophenyl)-2-(2-cyano-N-methylsulfonylanilino)acetamide
CID 113157216
2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide
CID 113158289

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide (CID 113156973) is N-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)Nc1cccc(C#N)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide?
The InChIKey is ABXZJSXITPTNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3S/c1-25(23,24)21(16-13(17)6-3-7-14(16)18)10-15(22)20-12-5-2-4-11(8-12)9-19/h2-8H,10H2,1H3,(H,20,22).
What are the key properties of N-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide?
N-(3-cyanophenyl)-2-(2,6-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-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113156973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).