2-(cyanomethylsulfonyl)-N-(2,4-dichlorophenyl)acetamide

C10H8Cl2N2O3S — CID 96694943

IUPAC2-(cyanomethylsulfonyl)-N-(2,4-dichlorophenyl)acetamide
SMILESN#CCS(=O)(=O)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N2O3S/c11-7-1-2-9(8(12)5-7)14-10(15)6-18(16,17)4-3-13/h1-2,5H,4,6H2,(H,14,15)
InChIKeyUSXSPFSDKILPFR-UHFFFAOYSA-N
MW307.16 g/mol
LogP1.87
Rot. Bonds4

About 2-(cyanomethylsulfonyl)-N-(2,4-dichlorophenyl)acetamide

2-(cyanomethylsulfonyl)-N-(2,4-dichlorophenyl)acetamide (PubChem CID 96694943) has the molecular formula C10H8Cl2N2O3S and a molecular weight of 307.16 g/mol. Its IUPAC name is 2-(cyanomethylsulfonyl)-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(cyanomethylsulfonyl)-N-(2,4-dichlorophenyl)acetamide
PubChem CID96694943
Molecular FormulaC10H8Cl2N2O3S
Molecular Weight307.16 g/mol
Exact Mass305.96
IUPAC Name2-(cyanomethylsulfonyl)-N-(2,4-dichlorophenyl)acetamide
SMILESN#CCS(=O)(=O)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2N2O3S/c11-7-1-2-9(8(12)5-7)14-10(15)6-18(16,17)4-3-13/h1-2,5H,4,6H2,(H,14,15)
InChIKeyUSXSPFSDKILPFR-UHFFFAOYSA-N
XLogP1.87
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(2,4-dichlorophenyl)acetamide
CID 693146
N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955063
N-(2,4-dichlorophenyl)propanamide
CID 923083
3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide
CID 26589989
N-(2-chlorophenyl)-2-(3-cyanopropylsulfonyl)acetamide
CID 82531658
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
2-(cyanomethylsulfonyl)-N-(4-methylphenyl)acetamide
CID 39159152
2-(cyanomethylsulfonyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 96694920
N-(2,4-dichlorophenyl)-2-(4,4-dimethylcyclohexyl)sulfonylacetamide
CID 154754123
N-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide
CID 86857982
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 1330087
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethylsulfonyl)-N-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 2-(cyanomethylsulfonyl)-N-(2,4-dichlorophenyl)acetamide (CID 96694943) is 2-(cyanomethylsulfonyl)-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(cyanomethylsulfonyl)-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-(cyanomethylsulfonyl)-N-(2,4-dichlorophenyl)acetamide is N#CCS(=O)(=O)CC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(cyanomethylsulfonyl)-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is USXSPFSDKILPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O3S/c11-7-1-2-9(8(12)5-7)14-10(15)6-18(16,17)4-3-13/h1-2,5H,4,6H2,(H,14,15).
What are the key properties of 2-(cyanomethylsulfonyl)-N-(2,4-dichlorophenyl)acetamide?
2-(cyanomethylsulfonyl)-N-(2,4-dichlorophenyl)acetamide has a molecular weight of 307.16 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethylsulfonyl)-N-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 96694943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).